Spectrum RP014402 for L-Cystine

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/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
LEVWYRKDKASIDU-IMJSIDKUSA-N
C6H12N2O4S2
240.023848864
O=C(O)C(N)CSSCC(N)C(=O)O

Mass Spectral Metadata

NameValue
2017.10.24
RP014402
BGC, Helmholtz Zentrum Muenchen
CC BY
Copyright (C) 2017
240.0238
maXis plus UHR-ToF-MS, Bruker Daltonics
LC-ESI-QTOF
MS2
ESI
CID
20
BEH C18 1.7um, 2.1x100mm, Waters
95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min
400 uL/min
0.576 min
Water with 0.1% formic acid
ACN with 0.1% formic acid
Peaks with additional N2/O included
RMassBank 2.4.0
positive
1.9539529407858645
0.8892823068430799
241.0311
[M+H]+
2.982453301637989 ppm
-7.188639999924362E-4 Da