Spectrum KZ000030 for Fumaric acid

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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
Natural Product
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
VZCYOOQTPOCHFL-OWOJBTEDSA-N
C4H4O4
116.010958608
O=C(O)C=CC(=O)O

Mass Spectral Metadata

NameValue
KZ000030
2016.01.19 (Created 2009.03.11, modified 2011.05.06)
Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
CC BY-SA
MassBase peak ID: MDGC1_01497_P000034
116.01096
Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
GC-EI-TOF
MS1
DB-17MS
1402.1
635.212 sec
2 TMS
ChromaTOF ver. 2.32 (Leco)
positive
3.1389287881832924
0.6730931239450344