Spectrum KO003786 for O-Phosphoserine

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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/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
BZQFBWGGLXLEPQ-REOHCLBHSA-N
C3H8NO6P
185.008923606
O=C(O)C(N)COP(=O)(O)O

Mass Spectral Metadata

NameValue
KO003786
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 P060
185.00892
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
2.179085472784735
0.7400681380062514
186
[M+H]+
90.82583870965836 ppm
-0.016893605999996453 Da