Spectrum MoNA001992 for S-HEXYL-GLUTATHIONE

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1
HXJDWCWJDCOHDG-RYUDHWBXSA-N
C16H29N3O6S
391.177706648
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CSCCCCCC

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
10
C16H29N3O6S
391.17771
391.17771
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.829924125712771
0.6730394780017653
392.186071777344
[M+H]+
1.007504785151504 ppm
3.951293439854453E-4 Da