Spectrum CCMSLIB00005464365 for GLUTATHIONE REDUCED

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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
70-18-8
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
307.08380626400003
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CS
RWSXRVCMGQZWBV-WDSKDSINSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
307.084
-1
MSV000084495/peak/mzXML/GNPS00006_H6_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
3.238047596523709
0.7327821670712678
306.077
[M-H]-
1.5346987848051656 ppm
4.697359999568107E-4 Da