Spectrum KO002922 for D-Glu

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/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
WHUUTDBJXJRKMK-GSVOUGTGSA-N
C5H9NO4
147.053157768
O=C(O)CCC(N)C(=O)O

Mass Spectral Metadata

NameValue
KO002922
148
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 G005
147.05316
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
0.9852532007828632
0.4738066355964717
[M+H]+
413.0254594594982 ppm
-0.061127768000005744 Da