Spectrum CCMSLIB00005720897 for CINNAMATE

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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
140-10-3
444539
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
C9H8O2
148.052429496
O=C(O)C=CC=1C=CC=CC1
WBYWAXJHAXSJNI-VOTSOKGWSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
148.052
-1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
negative
1.8747739185608527
0.7818414506372376
147.045
[M-H]-
1.0438709240316473 ppm
-1.5349600002423358E-4 Da