Spectrum CCMSLIB00000578081 for TRANS-CINNAMALDEHYDE

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
14371-10-9
637511
C9H8O
132.057514876
O=CC=CC=1C=CC=CC1
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
KJPRLNWUNMBNBZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
132.058
0
IROA_PLATE_pos_6_B.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
1.1601671129191964
0.3318074085424278
133.07
[M+H]+
33.93044262413673 ppm
0.004515123999993875 Da