Spectrum CCMSLIB00005720837 for 2-METHYLMALEATE

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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
498-23-7
643798
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
C5H6O4
130.026608672
O=C(O)C=C(C(=O)O)C
HNEGQIOMVPPMNR-IHWYPQMZSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
130.027
-1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
negative
1.8541337844059174
0.6297069823911976
129.019
[M-H]-
2.578472938196622 ppm
-3.3267200001318997E-4 Da