MiMeDB: Showing metabocard for Anhydrotetrodotoxin (MMDBc0024656)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 14:28:01 UTC

Update Date

2025-10-07 16:07:28 UTC

Metabolite ID

MMDBc0024656

Metabolite Identification

Common Name

Anhydrotetrodotoxin

Description

Anhydrotetrodotoxin is a member of the chemical class of voltage-gated sodium channel (VGSC) inhibitors, specifically a structural analog of tetrodotoxin. Its chemical structure features a unique arrangement that allows it to selectively block sodium currents mediated by specific VGSC subtypes, particularly Nav1.6, while showing reduced activity against others like Nav1.2 and Nav1.3. Anhydrotetrodotoxin has been shown to reduce sodium current in various neuronal preparations, influencing action potential characteristics and calcium influx during neuronal firing (PMID:30487736 ). This compound operates within the context of neuronal signaling pathways, where it modulates excitability by inhibiting sodium channels, thus affecting neurotransmitter release and synaptic transmission. In experimental models, 4,9-anhydrotetrodotoxin has been used to demonstrate the role of Nav1.6 in shaping action potentials and has been implicated in the differential expression of sodium channel subunits in various neuronal types (PMID:36946031 , PMID:32273850 ). Its selectivity for Nav1.6 over other VGSCs highlights its potential utility in research focused on neuronal excitability and the pharmacological modulation of sodium channels (PMID:32114117 ).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152116282D          

 27 31  0  0  1  0            999 V2000
    2.4384    1.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -0.1904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0755    0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4911    0.3716    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3621   -1.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550   -1.2854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4427   -0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298    0.9404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1674   -0.5767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2172   -0.9551    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1369    0.2498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247   -1.0280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3674    0.1540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412   -0.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    1.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -1.7506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9049   -1.7994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011    0.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -0.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    1.2524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    0.8797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0504   -1.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972   -2.1084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  9  1  1  1  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 10 14  1  6  0  0  0
 15  1  1  0  0  0  0
 16  3  1  0  0  0  0
  9 17  1  6  0  0  0
 11 18  1  1  0  0  0
 19  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20  4  1  0  0  0  0
 20 11  1  0  0  0  0
 21  5  1  0  0  0  0
 21 11  1  0  0  0  0
 22  2  1  0  0  0  0
  3 23  1  6  0  0  0
 24  4  1  0  0  0  0
  5 25  1  6  0  0  0
 26  6  1  0  0  0  0
  7 27  1  6  0  0  0
M  END


  Mrv1652305152116282D          

 27 31  0  0  1  0            999 V2000
    2.4384    1.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954   -0.1904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0755    0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4911    0.3716    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3621   -1.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550   -1.2854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4427   -0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298    0.9404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1674   -0.5767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2172   -0.9551    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1369    0.2498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247   -1.0280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3674    0.1540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2603    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412   -0.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    1.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -1.7506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9049   -1.7994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011    0.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995   -0.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    1.2524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411    0.8797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0504   -1.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972   -2.1084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  9  1  1  1  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 10 14  1  6  0  0  0
 15  1  1  0  0  0  0
 16  3  1  0  0  0  0
  9 17  1  6  0  0  0
 11 18  1  1  0  0  0
 19  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20  4  1  0  0  0  0
 20 11  1  0  0  0  0
 21  5  1  0  0  0  0
 21 11  1  0  0  0  0
 22  2  1  0  0  0  0
  3 23  1  6  0  0  0
 24  4  1  0  0  0  0
  5 25  1  6  0  0  0
 26  6  1  0  0  0  0
  7 27  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0024656

> <DATABASE_NAME>
MIME

> <SMILES>
[H]C12NC(=N)N[C@]34[C@]([H])(O1)[C@]1(O)OC([H])(C23[H])[C@@](O)(CO)[C@@]([H])(O1)[C@@]4([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6?,7+,9+,10-,11+/m1/s1

> <INCHI_KEY>
STNXQECXKDMLJK-NLWUVLGBSA-N

> <FORMULA>
C11H15N3O7

> <MOLECULAR_WEIGHT>
301.255

> <EXACT_MASS>
301.090999835

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
26.490141580442515

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,11S,12S)-2-(hydroxymethyl)-7-imino-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1^{3,12}.0^{5,11}.0^{5,14}]pentadecane-2,4,12-triol

> <ALOGPS_LOGP>
-2.31

> <JCHEM_LOGP>
-4.147769365037784

> <ALOGPS_LOGS>
-0.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.060321168892726

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.162273377688646

> <JCHEM_PKA_STRONGEST_BASIC>
10.82934295688339

> <JCHEM_POLAR_SURFACE_AREA>
156.51999999999998

> <JCHEM_REFRACTIVITY>
71.7532

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.07e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,11S,12S)-2-(hydroxymethyl)-7-imino-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1^{3,12}.0^{5,11}.0^{5,14}]pentadecane-2,4,12-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0       4.552   2.795   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.377  -0.441   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.098  -0.355   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.008   0.981   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.650   0.694   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.676  -2.226   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.903  -2.399   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.826  -0.366   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.416   1.755   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.179  -1.077   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.139  -1.783   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -2.122   0.466   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -0.793  -1.919   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       0.686   0.287   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0       4.219   4.299   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       5.117  -1.510   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       2.518   3.007   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       3.731  -3.268   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       1.689  -3.359   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.362   0.120   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.412  -0.820   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0      -0.135  -0.735   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       3.708   1.134   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0       1.279   2.338   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0       5.863   1.642   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0      -0.094  -3.560   0.000  0.00  0.00           H+0
HETATM   27  H   UNK     0       2.795  -3.936   0.000  0.00  0.00           H+0
CONECT    1    9   15                                                       
CONECT    2    4    6   10   22                                             
CONECT    3    5   10   16   23                                             
CONECT    4    2    9   20   24                                             
CONECT    5    3    9   21   25                                             
CONECT    6    2   13   19   26                                             
CONECT    7   10   11   19   27                                             
CONECT    8   12   13   14                                                  
CONECT    9    1    4    5   17                                             
CONECT   10    2    3    7   14                                             
CONECT   11    7   18   20   21                                             
CONECT   12    8                                                            
CONECT   13    6    8                                                       
CONECT   14    8   10                                                       
CONECT   15    1                                                            
CONECT   16    3                                                            
CONECT   17    9                                                            
CONECT   18   11                                                            
CONECT   19    6    7                                                       
CONECT   20    4   11                                                       
CONECT   21    5   11                                                       
CONECT   22    2                                                            
CONECT   23    3                                                            
CONECT   24    4                                                            
CONECT   25    5                                                            
CONECT   26    6                                                            
CONECT   27    7                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   62    0
END

Synonyms

Value	Source
4,9-Anhydro-TTX	MeSH
4,9-Anhydrotetrodotoxin	MeSH

Molecular Formula

C₁₁H₁₅N₃O₇

Average Mass

301.255

Monoisotopic Mass

301.090999835

IUPAC Name

(2S,3S,4S,5R,11S,12S)-2-(hydroxymethyl)-7-imino-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1^{3,12}.0^{5,11}.0^{5,14}]pentadecane-2,4,12-triol

Traditional Name

(2S,3S,4S,5R,11S,12S)-2-(hydroxymethyl)-7-imino-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1^{3,12}.0^{5,11}.0^{5,14}]pentadecane-2,4,12-triol

CAS Registry Number

Not Available

SMILES

[H]C12NC(=N)N[C@]34[C@]([H])(O1)[C@]1(O)OC([H])(C23[H])[C@@](O)(CO)[C@@]([H])(O1)[C@@]4([H])O

InChI Identifier

InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/t2?,3-,4?,5+,6?,7+,9+,10-,11+/m1/s1

InChI Key

STNXQECXKDMLJK-NLWUVLGBSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrodotoxins. Tetrodotoxins are compounds structurally characterized by the presence of the tetrodotoxin skeleton, which is based on 5,7-(epoxymethanooxy)quinazolin-10-olate moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazanaphthalenes

Sub Class

Benzodiazines

Direct Parent

Tetrodotoxins

Alternative Parents

Substituents

Tetrodotoxin-skeleton
Furopyran
Dioxepane
1,4-dioxepane
Pyran
Oxane
Monosaccharide
1,3-diazinane
Meta-dioxane
Tetrahydrofuran
Tertiary alcohol
Furan
Cyclic alcohol
Secondary alcohol
Orthocarboxylic acid derivative
Guanidine
Oxacycle
Azacycle
Carboximidamide
Polyol
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Imine
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	107 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-4.1	ChemAxon
logS	-0.45	ALOGPS
pKa (Strongest Acidic)	10.16	ChemAxon
pKa (Strongest Basic)	10.83	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	156.52 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	71.75 m³·mol⁻¹	ChemAxon
Polarizability	26.49 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	442.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	230.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	56.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	276.8
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	316.0
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	285.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	688.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	779.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	824.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	159.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	277.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	176.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	26.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	321.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	601.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	83.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	283.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	933.7
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	631.6

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Anhydrotetrodotoxin_TMS_1	C[Si](C)(C)O[C@@]12OC3C4C5NC(=N)N[C@]4([C@H](O)[C@H](O1)[C@]3(O)CO)[C@@H]2O5	standard non polar	2025-10-23	1875.43
Gas Chromatography	Anhydrotetrodotoxin_TMS_2	C[Si](C)(C)O[C@@]1(CO)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	1701.31
Gas Chromatography	Anhydrotetrodotoxin_TMS_3	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	2115.27
Gas Chromatography	Anhydrotetrodotoxin_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5NC(=N)N[C@]41[C@@H]3O5)[C@@]2(O)CO	standard non polar	2025-10-23	2396.07
Gas Chromatography	Anhydrotetrodotoxin_TMS_5	C[Si](C)(C)N1C(=N)N[C@@]23C4C1O[C@@H]2[C@]1(O)OC4[C@@](O)(CO)[C@@H](O1)[C@H]3O	standard non polar	2025-10-23	3033.12
Gas Chromatography	Anhydrotetrodotoxin_TMS_6	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO	standard non polar	2025-10-23	2921.97
Gas Chromatography	Anhydrotetrodotoxin_TMS_7	C[Si](C)(C)N1C(=N)NC2O[C@@H]3[C@]4(O)OC5C2[C@@]31[C@H](O)[C@H](O4)[C@]5(O)CO	standard non polar	2025-10-23	1687.01
Gas Chromatography	Anhydrotetrodotoxin_TMS_8	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5NC(=N)N[C@]41[C@@H]3O5)[C@@]2(O)CO	standard non polar	2025-10-23	2087.43
Gas Chromatography	Anhydrotetrodotoxin_TMS_9	C[Si](C)(C)O[C@@]12OC3C4C5NC(=N)N[C@]4([C@H](O)[C@H](O1)[C@@]3(CO)O[Si](C)(C)C)[C@@H]2O5	standard non polar	2025-10-23	1279.26
Gas Chromatography	Anhydrotetrodotoxin_TMS_10	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	2435.69
Gas Chromatography	Anhydrotetrodotoxin_TMS_11	C[Si](C)(C)O[C@]12OC3C4C5O[C@H]1[C@]4(NC(=N)N5[Si](C)(C)C)[C@H](O)[C@H](O2)[C@]3(O)CO	standard non polar	2025-10-23	1532.21
Gas Chromatography	Anhydrotetrodotoxin_TMS_12	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO	standard non polar	2025-10-23	1355.71
Gas Chromatography	Anhydrotetrodotoxin_TMS_13	C[Si](C)(C)O[C@@]12OC3C4C5NC(=N)N([Si](C)(C)C)[C@]4([C@H](O)[C@H](O1)[C@]3(O)CO)[C@@H]2O5	standard non polar	2025-10-23	1447.11
Gas Chromatography	Anhydrotetrodotoxin_TMS_14	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	2631.6
Gas Chromatography	Anhydrotetrodotoxin_TMS_15	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5NC(=N)N[C@]41[C@@H]3O5)[C@]2(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2016.38
Gas Chromatography	Anhydrotetrodotoxin_TMS_16	C[Si](C)(C)O[C@@]1(CO)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	1961.05
Gas Chromatography	Anhydrotetrodotoxin_TMS_17	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1848.08
Gas Chromatography	Anhydrotetrodotoxin_TMS_18	C[Si](C)(C)O[C@@]1(CO)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	2003.37
Gas Chromatography	Anhydrotetrodotoxin_TMS_19	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	2069.5
Gas Chromatography	Anhydrotetrodotoxin_TMS_20	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	2327.93
Gas Chromatography	Anhydrotetrodotoxin_TMS_21	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C	standard non polar	2025-10-23	1952.44
Gas Chromatography	Anhydrotetrodotoxin_TMS_22	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	1362.36
Gas Chromatography	Anhydrotetrodotoxin_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5O[C@H]3[C@@]41NC(=N)N5[Si](C)(C)C)[C@@]2(O)CO	standard non polar	2025-10-23	913.245
Gas Chromatography	Anhydrotetrodotoxin_TMS_24	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO	standard non polar	2025-10-23	1179.03
Gas Chromatography	Anhydrotetrodotoxin_TMS_25	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5NC(=N)N([Si](C)(C)C)[C@]41[C@@H]3O5)[C@@]2(O)CO	standard non polar	2025-10-23	2502.93
Gas Chromatography	Anhydrotetrodotoxin_TMS_26	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@@](O)(CO)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard non polar	2025-10-23	3324.97
Gas Chromatography	Anhydrotetrodotoxin_TMS_27	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)[C@@]23C4C1O[C@@H]2[C@]1(O)OC4[C@@](O)(CO)[C@@H](O1)[C@H]3O	standard non polar	2025-10-23	1858.21
Gas Chromatography	Anhydrotetrodotoxin_TMS_28	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard non polar	2025-10-23	2556.21
Gas Chromatography	Anhydrotetrodotoxin_TMS_29	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5NC(=N)N[C@]41[C@@H]3O5)[C@]2(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1866.34
Gas Chromatography	Anhydrotetrodotoxin_TMS_30	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	2034.0
Gas Chromatography	Anhydrotetrodotoxin_TMS_31	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5O[C@H]3[C@@]41NC(=N)N5[Si](C)(C)C)[C@@]2(O)CO	standard non polar	2025-10-23	1788.44
Gas Chromatography	Anhydrotetrodotoxin_TMS_32	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO	standard non polar	2025-10-23	1206.23
Gas Chromatography	Anhydrotetrodotoxin_TMS_33	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5NC(=N)N([Si](C)(C)C)[C@]41[C@@H]3O5)[C@@]2(O)CO	standard non polar	2025-10-23	1602.02
Gas Chromatography	Anhydrotetrodotoxin_TMS_34	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	2142.71
Gas Chromatography	Anhydrotetrodotoxin_TMS_35	C[Si](C)(C)O[C@]12OC3C4C5O[C@H]1[C@]4(NC(=N)N5[Si](C)(C)C)[C@H](O)[C@H](O2)[C@@]3(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1721.01
Gas Chromatography	Anhydrotetrodotoxin_TMS_36	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2403.85
Gas Chromatography	Anhydrotetrodotoxin_TMS_37	C[Si](C)(C)O[C@@]12OC3C4C5NC(=N)N([Si](C)(C)C)[C@]4([C@H](O)[C@H](O1)[C@@]3(CO)O[Si](C)(C)C)[C@@H]2O5	standard non polar	2025-10-23	2146.79
Gas Chromatography	Anhydrotetrodotoxin_TMS_38	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	1012.85
Gas Chromatography	Anhydrotetrodotoxin_TMS_39	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C	standard non polar	2025-10-23	1686.49
Gas Chromatography	Anhydrotetrodotoxin_TMS_40	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	1693.5
Gas Chromatography	Anhydrotetrodotoxin_TMS_41	C[Si](C)(C)O[C@]12OC3C4C5O[C@H]1[C@@]4([C@H](O)[C@H](O2)[C@]3(O)CO)N([Si](C)(C)C)C(=N)N5[Si](C)(C)C	standard non polar	2025-10-23	2329.94
Gas Chromatography	Anhydrotetrodotoxin_TMS_42	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@@](O)(CO)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard non polar	2025-10-23	2560.52
Gas Chromatography	Anhydrotetrodotoxin_TMS_43	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard non polar	2025-10-23	2017.2
Gas Chromatography	Anhydrotetrodotoxin_TMS_44	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	2293.77
Gas Chromatography	Anhydrotetrodotoxin_TMS_45	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	2805.37
Gas Chromatography	Anhydrotetrodotoxin_TMS_46	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1747.87
Gas Chromatography	Anhydrotetrodotoxin_TMS_47	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	1685.21
Gas Chromatography	Anhydrotetrodotoxin_TMS_48	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5O[C@H]3[C@@]41NC(=N)N5[Si](C)(C)C)[C@]2(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2256.02
Gas Chromatography	Anhydrotetrodotoxin_TMS_49	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1671.88
Gas Chromatography	Anhydrotetrodotoxin_TMS_50	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5NC(=N)N([Si](C)(C)C)[C@]41[C@@H]3O5)[C@]2(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2697.84
Gas Chromatography	Anhydrotetrodotoxin_TMS_51	C[Si](C)(C)O[C@@]1(CO)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	1303.67
Gas Chromatography	Anhydrotetrodotoxin_TMS_52	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1705.16
Gas Chromatography	Anhydrotetrodotoxin_TMS_53	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@](CO)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard non polar	2025-10-23	2321.52
Gas Chromatography	Anhydrotetrodotoxin_TMS_54	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	2226.94
Gas Chromatography	Anhydrotetrodotoxin_TMS_55	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C	standard non polar	2025-10-23	1447.14
Gas Chromatography	Anhydrotetrodotoxin_TMS_56	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	1415.75
Gas Chromatography	Anhydrotetrodotoxin_TMS_57	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	1719.17
Gas Chromatography	Anhydrotetrodotoxin_TMS_58	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1165.02
Gas Chromatography	Anhydrotetrodotoxin_TMS_59	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@@](O)(CO[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard non polar	2025-10-23	1898.45
Gas Chromatography	Anhydrotetrodotoxin_TMS_60	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5O[C@H]3[C@@]41N([Si](C)(C)C)C(=N)N5[Si](C)(C)C)[C@@]2(O)CO	standard non polar	2025-10-23	2039.93
Gas Chromatography	Anhydrotetrodotoxin_TMS_61	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@@](O)(CO)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1830.49
Gas Chromatography	Anhydrotetrodotoxin_TMS_62	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard non polar	2025-10-23	1665.01
Gas Chromatography	Anhydrotetrodotoxin_TMS_63	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard non polar	2025-10-23	1443.05
Gas Chromatography	Anhydrotetrodotoxin_TMS_64	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)NC(O[C@H]31)C24	standard non polar	2025-10-23	1946.44
Gas Chromatography	Anhydrotetrodotoxin_TMS_65	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5O[C@H]3[C@@]41NC(=N)N5[Si](C)(C)C)[C@]2(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1477.24
Gas Chromatography	Anhydrotetrodotoxin_TMS_66	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2285.41
Gas Chromatography	Anhydrotetrodotoxin_TMS_67	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5NC(=N)N([Si](C)(C)C)[C@]41[C@@H]3O5)[C@]2(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1553.28
Gas Chromatography	Anhydrotetrodotoxin_TMS_68	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	2119.0
Gas Chromatography	Anhydrotetrodotoxin_TMS_69	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C	standard non polar	2025-10-23	2159.39
Gas Chromatography	Anhydrotetrodotoxin_TMS_70	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	1714.52
Gas Chromatography	Anhydrotetrodotoxin_TMS_71	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5O[C@H]3[C@@]41N([Si](C)(C)C)C(=N)N5[Si](C)(C)C)[C@@]2(O)CO	standard non polar	2025-10-23	2010.25
Gas Chromatography	Anhydrotetrodotoxin_TMS_72	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@@](O)(CO)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2151.56
Gas Chromatography	Anhydrotetrodotoxin_TMS_73	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard non polar	2025-10-23	2129.41
Gas Chromatography	Anhydrotetrodotoxin_TMS_74	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	2467.5
Gas Chromatography	Anhydrotetrodotoxin_TMS_75	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2180.29
Gas Chromatography	Anhydrotetrodotoxin_TMS_76	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	2126.24
Gas Chromatography	Anhydrotetrodotoxin_TMS_77	C[Si](C)(C)O[C@]12OC3C4C5O[C@H]1[C@@]4([C@H](O)[C@H](O2)[C@@]3(CO)O[Si](C)(C)C)N([Si](C)(C)C)C(=N)N5[Si](C)(C)C	standard non polar	2025-10-23	2254.42
Gas Chromatography	Anhydrotetrodotoxin_TMS_78	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@](CO)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard non polar	2025-10-23	1734.77
Gas Chromatography	Anhydrotetrodotoxin_TMS_79	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1784.45
Gas Chromatography	Anhydrotetrodotoxin_TMS_80	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	2155.22
Gas Chromatography	Anhydrotetrodotoxin_TMS_81	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	3146.7
Gas Chromatography	Anhydrotetrodotoxin_TMS_82	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@@](O)(CO[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard non polar	2025-10-23	2154.87
Gas Chromatography	Anhydrotetrodotoxin_TMS_83	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard non polar	2025-10-23	1169.74
Gas Chromatography	Anhydrotetrodotoxin_TMS_84	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	1988.35
Gas Chromatography	Anhydrotetrodotoxin_TMS_85	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1813.22
Gas Chromatography	Anhydrotetrodotoxin_TMS_86	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	2059.62
Gas Chromatography	Anhydrotetrodotoxin_TMS_87	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	2708.56
Gas Chromatography	Anhydrotetrodotoxin_TMS_88	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2402.51
Gas Chromatography	Anhydrotetrodotoxin_TMS_89	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard non polar	2025-10-23	2336.14
Gas Chromatography	Anhydrotetrodotoxin_TMS_90	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5O[C@H]3[C@@]41N([Si](C)(C)C)C(=N)N5[Si](C)(C)C)[C@]2(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2032.57
Gas Chromatography	Anhydrotetrodotoxin_TMS_91	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@](CO)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	3301.91
Gas Chromatography	Anhydrotetrodotoxin_TMS_92	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1373.21
Gas Chromatography	Anhydrotetrodotoxin_TMS_93	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1612.69
Gas Chromatography	Anhydrotetrodotoxin_TMS_94	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	1350.62
Gas Chromatography	Anhydrotetrodotoxin_TMS_95	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1589.0
Gas Chromatography	Anhydrotetrodotoxin_TMS_96	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@@](O)(CO[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1586.13
Gas Chromatography	Anhydrotetrodotoxin_TMS_97	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2236.04
Gas Chromatography	Anhydrotetrodotoxin_TMS_98	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard non polar	2025-10-23	2021.52
Gas Chromatography	Anhydrotetrodotoxin_TMS_99	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard non polar	2025-10-23	1766.36
Gas Chromatography	Anhydrotetrodotoxin_TMS_100	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1978.29
Gas Chromatography	Anhydrotetrodotoxin_TMS_101	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard non polar	2025-10-23	1196.83
Gas Chromatography	Anhydrotetrodotoxin_TMS_102	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5O[C@H]3[C@@]41N([Si](C)(C)C)C(=N)N5[Si](C)(C)C)[C@]2(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2772.22
Gas Chromatography	Anhydrotetrodotoxin_TMS_103	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@](CO)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2182.74
Gas Chromatography	Anhydrotetrodotoxin_TMS_104	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2684.77
Gas Chromatography	Anhydrotetrodotoxin_TMS_105	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	2649.76
Gas Chromatography	Anhydrotetrodotoxin_TMS_106	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1606.93
Gas Chromatography	Anhydrotetrodotoxin_TMS_107	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@@](O)(CO[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1868.51
Gas Chromatography	Anhydrotetrodotoxin_TMS_108	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard non polar	2025-10-23	1169.27
Gas Chromatography	Anhydrotetrodotoxin_TMS_109	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	2890.78
Gas Chromatography	Anhydrotetrodotoxin_TMS_110	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1630.3
Gas Chromatography	Anhydrotetrodotoxin_TMS_111	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard non polar	2025-10-23	1660.09
Gas Chromatography	Anhydrotetrodotoxin_TMS_112	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1948.57
Gas Chromatography	Anhydrotetrodotoxin_TMS_113	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2136.07
Gas Chromatography	Anhydrotetrodotoxin_TMS_114	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	1507.41
Gas Chromatography	Anhydrotetrodotoxin_TMS_115	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2057.21
Gas Chromatography	Anhydrotetrodotoxin_TMS_116	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	938.317
Gas Chromatography	Anhydrotetrodotoxin_TMS_117	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1569.5
Gas Chromatography	Anhydrotetrodotoxin_TMS_118	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1648.6
Gas Chromatography	Anhydrotetrodotoxin_TMS_119	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2734.76
Gas Chromatography	Anhydrotetrodotoxin_TMS_120	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard non polar	2025-10-23	935.166
Gas Chromatography	Anhydrotetrodotoxin_TMS_121	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1408.08
Gas Chromatography	Anhydrotetrodotoxin_TMS_122	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2080.3
Gas Chromatography	Anhydrotetrodotoxin_TMS_123	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1099.7
Gas Chromatography	Anhydrotetrodotoxin_TMS_124	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	1675.76
Gas Chromatography	Anhydrotetrodotoxin_TMS_125	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2643.56
Gas Chromatography	Anhydrotetrodotoxin_TMS_126	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2369.85
Gas Chromatography	Anhydrotetrodotoxin_TMS_127	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard non polar	2025-10-23	2324.28
Gas Chromatography	Anhydrotetrodotoxin_TMS_1	C[Si](C)(C)O[C@@]12OC3C4C5NC(=N)N[C@]4([C@H](O)[C@H](O1)[C@]3(O)CO)[C@@H]2O5	standard polar	2025-10-23	2361.97
Gas Chromatography	Anhydrotetrodotoxin_TMS_2	C[Si](C)(C)O[C@@]1(CO)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	2101.4
Gas Chromatography	Anhydrotetrodotoxin_TMS_3	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	2381.67
Gas Chromatography	Anhydrotetrodotoxin_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5NC(=N)N[C@]41[C@@H]3O5)[C@@]2(O)CO	standard polar	2025-10-23	2218.37
Gas Chromatography	Anhydrotetrodotoxin_TMS_5	C[Si](C)(C)N1C(=N)N[C@@]23C4C1O[C@@H]2[C@]1(O)OC4[C@@](O)(CO)[C@@H](O1)[C@H]3O	standard polar	2025-10-23	2670.47
Gas Chromatography	Anhydrotetrodotoxin_TMS_6	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO	standard polar	2025-10-23	1810.54
Gas Chromatography	Anhydrotetrodotoxin_TMS_7	C[Si](C)(C)N1C(=N)NC2O[C@@H]3[C@]4(O)OC5C2[C@@]31[C@H](O)[C@H](O4)[C@]5(O)CO	standard polar	2025-10-23	2109.59
Gas Chromatography	Anhydrotetrodotoxin_TMS_8	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5NC(=N)N[C@]41[C@@H]3O5)[C@@]2(O)CO	standard polar	2025-10-23	2057.86
Gas Chromatography	Anhydrotetrodotoxin_TMS_9	C[Si](C)(C)O[C@@]12OC3C4C5NC(=N)N[C@]4([C@H](O)[C@H](O1)[C@@]3(CO)O[Si](C)(C)C)[C@@H]2O5	standard polar	2025-10-23	2080.09
Gas Chromatography	Anhydrotetrodotoxin_TMS_10	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	2723.26
Gas Chromatography	Anhydrotetrodotoxin_TMS_11	C[Si](C)(C)O[C@]12OC3C4C5O[C@H]1[C@]4(NC(=N)N5[Si](C)(C)C)[C@H](O)[C@H](O2)[C@]3(O)CO	standard polar	2025-10-23	2704.78
Gas Chromatography	Anhydrotetrodotoxin_TMS_12	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO	standard polar	2025-10-23	2656.18
Gas Chromatography	Anhydrotetrodotoxin_TMS_13	C[Si](C)(C)O[C@@]12OC3C4C5NC(=N)N([Si](C)(C)C)[C@]4([C@H](O)[C@H](O1)[C@]3(O)CO)[C@@H]2O5	standard polar	2025-10-23	2082.35
Gas Chromatography	Anhydrotetrodotoxin_TMS_14	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	2476.02
Gas Chromatography	Anhydrotetrodotoxin_TMS_15	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5NC(=N)N[C@]41[C@@H]3O5)[C@]2(CO)O[Si](C)(C)C	standard polar	2025-10-23	1860.66
Gas Chromatography	Anhydrotetrodotoxin_TMS_16	C[Si](C)(C)O[C@@]1(CO)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	2071.25
Gas Chromatography	Anhydrotetrodotoxin_TMS_17	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C	standard polar	2025-10-23	2297.97
Gas Chromatography	Anhydrotetrodotoxin_TMS_18	C[Si](C)(C)O[C@@]1(CO)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	2629.12
Gas Chromatography	Anhydrotetrodotoxin_TMS_19	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	2977.48
Gas Chromatography	Anhydrotetrodotoxin_TMS_20	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	2242.7
Gas Chromatography	Anhydrotetrodotoxin_TMS_21	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C	standard polar	2025-10-23	2043.82
Gas Chromatography	Anhydrotetrodotoxin_TMS_22	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	1625.77
Gas Chromatography	Anhydrotetrodotoxin_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5O[C@H]3[C@@]41NC(=N)N5[Si](C)(C)C)[C@@]2(O)CO	standard polar	2025-10-23	2207.35
Gas Chromatography	Anhydrotetrodotoxin_TMS_24	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO	standard polar	2025-10-23	1751.57
Gas Chromatography	Anhydrotetrodotoxin_TMS_25	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5NC(=N)N([Si](C)(C)C)[C@]41[C@@H]3O5)[C@@]2(O)CO	standard polar	2025-10-23	1990.87
Gas Chromatography	Anhydrotetrodotoxin_TMS_26	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@@](O)(CO)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard polar	2025-10-23	2790.1
Gas Chromatography	Anhydrotetrodotoxin_TMS_27	C[Si](C)(C)N1C(=N)N([Si](C)(C)C)[C@@]23C4C1O[C@@H]2[C@]1(O)OC4[C@@](O)(CO)[C@@H](O1)[C@H]3O	standard polar	2025-10-23	2690.4
Gas Chromatography	Anhydrotetrodotoxin_TMS_28	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard polar	2025-10-23	1076.43
Gas Chromatography	Anhydrotetrodotoxin_TMS_29	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5NC(=N)N[C@]41[C@@H]3O5)[C@]2(CO)O[Si](C)(C)C	standard polar	2025-10-23	1810.13
Gas Chromatography	Anhydrotetrodotoxin_TMS_30	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	1127.02
Gas Chromatography	Anhydrotetrodotoxin_TMS_31	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5O[C@H]3[C@@]41NC(=N)N5[Si](C)(C)C)[C@@]2(O)CO	standard polar	2025-10-23	2530.66
Gas Chromatography	Anhydrotetrodotoxin_TMS_32	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO	standard polar	2025-10-23	2599.55
Gas Chromatography	Anhydrotetrodotoxin_TMS_33	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5NC(=N)N([Si](C)(C)C)[C@]41[C@@H]3O5)[C@@]2(O)CO	standard polar	2025-10-23	2599.51
Gas Chromatography	Anhydrotetrodotoxin_TMS_34	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	1578.68
Gas Chromatography	Anhydrotetrodotoxin_TMS_35	C[Si](C)(C)O[C@]12OC3C4C5O[C@H]1[C@]4(NC(=N)N5[Si](C)(C)C)[C@H](O)[C@H](O2)[C@@]3(CO)O[Si](C)(C)C	standard polar	2025-10-23	2704.86
Gas Chromatography	Anhydrotetrodotoxin_TMS_36	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C	standard polar	2025-10-23	2763.21
Gas Chromatography	Anhydrotetrodotoxin_TMS_37	C[Si](C)(C)O[C@@]12OC3C4C5NC(=N)N([Si](C)(C)C)[C@]4([C@H](O)[C@H](O1)[C@@]3(CO)O[Si](C)(C)C)[C@@H]2O5	standard polar	2025-10-23	2305.29
Gas Chromatography	Anhydrotetrodotoxin_TMS_38	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	3130.55
Gas Chromatography	Anhydrotetrodotoxin_TMS_39	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C	standard polar	2025-10-23	423.021
Gas Chromatography	Anhydrotetrodotoxin_TMS_40	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	1617.04
Gas Chromatography	Anhydrotetrodotoxin_TMS_41	C[Si](C)(C)O[C@]12OC3C4C5O[C@H]1[C@@]4([C@H](O)[C@H](O2)[C@]3(O)CO)N([Si](C)(C)C)C(=N)N5[Si](C)(C)C	standard polar	2025-10-23	1989.15
Gas Chromatography	Anhydrotetrodotoxin_TMS_42	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@@](O)(CO)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard polar	2025-10-23	2270.2
Gas Chromatography	Anhydrotetrodotoxin_TMS_43	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard polar	2025-10-23	2258.04
Gas Chromatography	Anhydrotetrodotoxin_TMS_44	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	2428.68
Gas Chromatography	Anhydrotetrodotoxin_TMS_45	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	2465.86
Gas Chromatography	Anhydrotetrodotoxin_TMS_46	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1938.57
Gas Chromatography	Anhydrotetrodotoxin_TMS_47	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	1397.7
Gas Chromatography	Anhydrotetrodotoxin_TMS_48	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5O[C@H]3[C@@]41NC(=N)N5[Si](C)(C)C)[C@]2(CO)O[Si](C)(C)C	standard polar	2025-10-23	2574.36
Gas Chromatography	Anhydrotetrodotoxin_TMS_49	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C	standard polar	2025-10-23	1494.43
Gas Chromatography	Anhydrotetrodotoxin_TMS_50	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5NC(=N)N([Si](C)(C)C)[C@]41[C@@H]3O5)[C@]2(CO)O[Si](C)(C)C	standard polar	2025-10-23	2494.52
Gas Chromatography	Anhydrotetrodotoxin_TMS_51	C[Si](C)(C)O[C@@]1(CO)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	1447.63
Gas Chromatography	Anhydrotetrodotoxin_TMS_52	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1905.11
Gas Chromatography	Anhydrotetrodotoxin_TMS_53	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@](CO)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard polar	2025-10-23	2089.41
Gas Chromatography	Anhydrotetrodotoxin_TMS_54	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	1472.71
Gas Chromatography	Anhydrotetrodotoxin_TMS_55	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C	standard polar	2025-10-23	1793.93
Gas Chromatography	Anhydrotetrodotoxin_TMS_56	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	1685.99
Gas Chromatography	Anhydrotetrodotoxin_TMS_57	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	1590.4
Gas Chromatography	Anhydrotetrodotoxin_TMS_58	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1883.6
Gas Chromatography	Anhydrotetrodotoxin_TMS_59	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@@](O)(CO[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard polar	2025-10-23	1107.32
Gas Chromatography	Anhydrotetrodotoxin_TMS_60	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5O[C@H]3[C@@]41N([Si](C)(C)C)C(=N)N5[Si](C)(C)C)[C@@]2(O)CO	standard polar	2025-10-23	1762.31
Gas Chromatography	Anhydrotetrodotoxin_TMS_61	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@@](O)(CO)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2012.81
Gas Chromatography	Anhydrotetrodotoxin_TMS_62	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard polar	2025-10-23	2267.31
Gas Chromatography	Anhydrotetrodotoxin_TMS_63	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard polar	2025-10-23	1225.54
Gas Chromatography	Anhydrotetrodotoxin_TMS_64	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)NC(O[C@H]31)C24	standard polar	2025-10-23	1471.29
Gas Chromatography	Anhydrotetrodotoxin_TMS_65	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5O[C@H]3[C@@]41NC(=N)N5[Si](C)(C)C)[C@]2(CO)O[Si](C)(C)C	standard polar	2025-10-23	2488.31
Gas Chromatography	Anhydrotetrodotoxin_TMS_66	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C	standard polar	2025-10-23	2974.18
Gas Chromatography	Anhydrotetrodotoxin_TMS_67	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5NC(=N)N([Si](C)(C)C)[C@]41[C@@H]3O5)[C@]2(CO)O[Si](C)(C)C	standard polar	2025-10-23	2160.69
Gas Chromatography	Anhydrotetrodotoxin_TMS_68	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	2085.61
Gas Chromatography	Anhydrotetrodotoxin_TMS_69	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C	standard polar	2025-10-23	990.385
Gas Chromatography	Anhydrotetrodotoxin_TMS_70	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	2069.13
Gas Chromatography	Anhydrotetrodotoxin_TMS_71	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5O[C@H]3[C@@]41N([Si](C)(C)C)C(=N)N5[Si](C)(C)C)[C@@]2(O)CO	standard polar	2025-10-23	2234.7
Gas Chromatography	Anhydrotetrodotoxin_TMS_72	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@@](O)(CO)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2631.65
Gas Chromatography	Anhydrotetrodotoxin_TMS_73	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard polar	2025-10-23	1753.71
Gas Chromatography	Anhydrotetrodotoxin_TMS_74	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	1184.16
Gas Chromatography	Anhydrotetrodotoxin_TMS_75	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2250.45
Gas Chromatography	Anhydrotetrodotoxin_TMS_76	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	2200.84
Gas Chromatography	Anhydrotetrodotoxin_TMS_77	C[Si](C)(C)O[C@]12OC3C4C5O[C@H]1[C@@]4([C@H](O)[C@H](O2)[C@@]3(CO)O[Si](C)(C)C)N([Si](C)(C)C)C(=N)N5[Si](C)(C)C	standard polar	2025-10-23	2707.02
Gas Chromatography	Anhydrotetrodotoxin_TMS_78	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@](CO)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard polar	2025-10-23	2542.66
Gas Chromatography	Anhydrotetrodotoxin_TMS_79	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2553.29
Gas Chromatography	Anhydrotetrodotoxin_TMS_80	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	990.607
Gas Chromatography	Anhydrotetrodotoxin_TMS_81	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2560.34
Gas Chromatography	Anhydrotetrodotoxin_TMS_82	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@@](O)(CO[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard polar	2025-10-23	2274.63
Gas Chromatography	Anhydrotetrodotoxin_TMS_83	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard polar	2025-10-23	2159.9
Gas Chromatography	Anhydrotetrodotoxin_TMS_84	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	1626.82
Gas Chromatography	Anhydrotetrodotoxin_TMS_85	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2283.02
Gas Chromatography	Anhydrotetrodotoxin_TMS_86	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	1915.39
Gas Chromatography	Anhydrotetrodotoxin_TMS_87	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	2206.47
Gas Chromatography	Anhydrotetrodotoxin_TMS_88	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1902.49
Gas Chromatography	Anhydrotetrodotoxin_TMS_89	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard polar	2025-10-23	1394.23
Gas Chromatography	Anhydrotetrodotoxin_TMS_90	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O)OC(C4C5O[C@H]3[C@@]41N([Si](C)(C)C)C(=N)N5[Si](C)(C)C)[C@]2(CO)O[Si](C)(C)C	standard polar	2025-10-23	1411.14
Gas Chromatography	Anhydrotetrodotoxin_TMS_91	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@](CO)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1698.43
Gas Chromatography	Anhydrotetrodotoxin_TMS_92	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2425.09
Gas Chromatography	Anhydrotetrodotoxin_TMS_93	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2295.6
Gas Chromatography	Anhydrotetrodotoxin_TMS_94	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	1460.14
Gas Chromatography	Anhydrotetrodotoxin_TMS_95	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	3309.97
Gas Chromatography	Anhydrotetrodotoxin_TMS_96	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@@](O)(CO[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	3181.75
Gas Chromatography	Anhydrotetrodotoxin_TMS_97	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1736.37
Gas Chromatography	Anhydrotetrodotoxin_TMS_98	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard polar	2025-10-23	2066.45
Gas Chromatography	Anhydrotetrodotoxin_TMS_99	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14C2C(NC(=N)N1[Si](C)(C)C)O[C@H]34	standard polar	2025-10-23	2821.25
Gas Chromatography	Anhydrotetrodotoxin_TMS_100	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@@]3(N1)[C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1711.26
Gas Chromatography	Anhydrotetrodotoxin_TMS_101	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@]14NC(=N)N([Si](C)(C)C)C(O[C@H]31)C24	standard polar	2025-10-23	2673.4
Gas Chromatography	Anhydrotetrodotoxin_TMS_102	C[Si](C)(C)O[C@@H]1[C@@H]2O[C@@]3(O[Si](C)(C)C)OC(C4C5O[C@H]3[C@@]41N([Si](C)(C)C)C(=N)N5[Si](C)(C)C)[C@]2(CO)O[Si](C)(C)C	standard polar	2025-10-23	2208.72
Gas Chromatography	Anhydrotetrodotoxin_TMS_103	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@](CO)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1217.08
Gas Chromatography	Anhydrotetrodotoxin_TMS_104	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1686.19
Gas Chromatography	Anhydrotetrodotoxin_TMS_105	C[Si](C)(C)OC[C@]1(O)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	1108.58
Gas Chromatography	Anhydrotetrodotoxin_TMS_106	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1992.34
Gas Chromatography	Anhydrotetrodotoxin_TMS_107	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@@](O)(CO[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2393.39
Gas Chromatography	Anhydrotetrodotoxin_TMS_108	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO)N1[Si](C)(C)C	standard polar	2025-10-23	2243.02
Gas Chromatography	Anhydrotetrodotoxin_TMS_109	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	1128.52
Gas Chromatography	Anhydrotetrodotoxin_TMS_110	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2836.76
Gas Chromatography	Anhydrotetrodotoxin_TMS_111	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O)N1[Si](C)(C)C	standard polar	2025-10-23	3398.27
Gas Chromatography	Anhydrotetrodotoxin_TMS_112	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2675.65
Gas Chromatography	Anhydrotetrodotoxin_TMS_113	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1400.59
Gas Chromatography	Anhydrotetrodotoxin_TMS_114	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	1994.33
Gas Chromatography	Anhydrotetrodotoxin_TMS_115	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1983.67
Gas Chromatography	Anhydrotetrodotoxin_TMS_116	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O)OC4[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2114.61
Gas Chromatography	Anhydrotetrodotoxin_TMS_117	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1462.54
Gas Chromatography	Anhydrotetrodotoxin_TMS_118	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2830.82
Gas Chromatography	Anhydrotetrodotoxin_TMS_119	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	3090.29
Gas Chromatography	Anhydrotetrodotoxin_TMS_120	C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)C2O[C@]3(O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]14C2C(O[C@H]31)N([Si](C)(C)C)C(=N)N4[Si](C)(C)C	standard polar	2025-10-23	1883.57
Gas Chromatography	Anhydrotetrodotoxin_TMS_121	C[Si](C)(C)N=C1NC2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1315.25
Gas Chromatography	Anhydrotetrodotoxin_TMS_122	C[Si](C)(C)N=C1N[C@@]23C4C(O[C@@H]2[C@]2(O[Si](C)(C)C)OC4[C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O2)[C@H]3O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	877.947
Gas Chromatography	Anhydrotetrodotoxin_TMS_123	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2329.56
Gas Chromatography	Anhydrotetrodotoxin_TMS_124	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@]5(O)CO[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2429.34
Gas Chromatography	Anhydrotetrodotoxin_TMS_125	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	1845.54
Gas Chromatography	Anhydrotetrodotoxin_TMS_126	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2153.74
Gas Chromatography	Anhydrotetrodotoxin_TMS_127	C[Si](C)(C)N=C1N([Si](C)(C)C)C2O[C@@H]3[C@]4(O[Si](C)(C)C)OC5C2[C@]3([C@H](O[Si](C)(C)C)[C@H](O4)[C@@]5(CO[Si](C)(C)C)O[Si](C)(C)C)N1[Si](C)(C)C	standard polar	2025-10-23	2428.1

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human feces; Human	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

21256822

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

107878

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Anhydrotetrodotoxin (MMDBc0024656)

MOL for #<Metabolite:0x00007f9acc06d3d0>

3D MOL for #<Metabolite:0x00007f9acc06d3d0>

3D SDF for #<Metabolite:0x00007f9acc06d3d0>

3D-SDF for #<Metabolite:0x00007f9acc06d3d0>

PDB for #<Metabolite:0x00007f9acc06d3d0>

3D PDB for #<Metabolite:0x00007f9acc06d3d0>

SMILES for #<Metabolite:0x00007f9acc06d3d0>

INCHI for #<Metabolite:0x00007f9acc06d3d0>

Structure for #<Metabolite:0x00007f9acc06d3d0>

3D Structure for #<Metabolite:0x00007f9acc06d3d0>