Spectrum KO000399 for Cysteine sulfinate

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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
InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
ADVPTQAUNPRNPO-REOHCLBHSA-N
C3H7NO4S
153.009578704
O=C(O)C(N)CS(=O)O

Mass Spectral Metadata

NameValue
KO000399
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID C015
153.00958
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
negative
1.252561665486974
0.5700653808476432
152
[M-H]-
15.149368421157005 ppm
-0.002302704000015865 Da