Decarbamoyloxysaxitoxin

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Systematic / IUPAC Name: (3aS,4S,10aS)-2,6-Diamino-4-methyl-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol

ID: Reference8267

Other Names:

Formula: C9H16N6O2

Class: Natural Toxins

Spectral Data

Decarbamoyloxysaxitoxin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 2883
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2018 12:23:30 PM
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Identificators

InChI InChI=1S/C9H16N6O2/c1-4-5-9(14-6(10)13-5)8(16,17)2-3-15(9)7(11)12-4/h4-5,16-17H,2-3H2,1H3,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1
InChI Key ICEQSJLPASDDEC-PJPYAQQDSA-N
Canonical SMILES CC1C2C3(C(CCN3C(=N1)N)(O)O)NC(=N2)N
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Other Names

In Other Databases

PubChem 101630837