Spectrum VF-NPL-LTQ007392 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
NP_UC_2032_p01_H05_01_NEG_iTree_02.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.0211154867221535
0.49105274962299034
306.1263157771184
M-H
162.6306219118704 ppm
0.049785513118422386 Da