Spectrum VF-NPL-LTQ000224 for Glutathione

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
C10H17N3O6S
307.083806264
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CS
RWSXRVCMGQZWBV-WDSKDSINSA-N

Mass Spectral Metadata

NameValue
35
120_60_iTree_NEG_08252014_36.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.5654476386174387
0.8044809465521423
306.12543334960935
M-H
159.74852227818053 ppm
0.048903085609367736 Da