MassBank Record: NGA03115



 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03115
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Carboxylic acids

CH$NAME: 2-dimethylaminoethyl cinnamate CH$COMPOUND_CLASS: Carbohydrates CH$FORMULA: C13H17NO2 CH$EXACT_MASS: 219.28593999999998 CH$SMILES: CN(C)CCOC(=O)/C=C/c1ccccc1 CH$IUPAC: InChI=1S/C13H17NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+ CH$LINK: INCHIKEY BWJAQVSVFPHGSU-CMDGGOBGSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9810000000-e0ba0c988fd67ca675e8 PK$NUM_PEAK: 69 PK$PEAK: m/z int. rel.int. 71.3 1.47 1 71.4 3.78 3 71.5 8.93 8 71.6 18.14 18 71.7 32.11 32 71.8 50.48 50 71.9 70.98 70 72.0 89.15 89 72.1 99.94 99 72.2 100.0 99 72.3 88.19 88 72.4 65.64 65 72.5 37.56 37 72.6 13.07 13 72.7 0.47 0 89.6 1.94 1 89.7 3.26 3 89.8 5.1 5 89.9 7.23 7 90.0 9.03 9 90.1 9.77 9 90.2 9.3 9 90.3 8.0 7 90.4 6.15 6 90.5 3.86 3 90.6 1.59 1 130.3 0.74 0 130.4 2.53 2 130.5 5.96 5 130.6 11.14 11 130.7 18.19 18 130.8 27.28 27 130.9 37.19 37 131.0 44.71 44 131.1 46.95 46 131.2 43.88 43 131.3 36.94 36 131.4 26.91 26 131.5 15.03 15 131.6 4.7 4 131.7 0.2 0 174.3 0.44 0 174.4 1.88 1 174.5 5.2 5 174.6 10.91 10 174.7 19.11 19 174.8 29.43 29 174.9 40.65 40 175.0 50.25 50 175.1 55.26 55 175.2 54.15 54 175.3 47.11 47 175.4 35.12 35 175.5 20.41 20 175.6 7.28 7 175.7 0.1 0 219.5 0.94 0 219.6 2.41 2 219.7 5.04 5 219.8 8.9 8 219.9 13.4 13 220.0 17.4 17 220.1 19.83 19 220.2 20.33 20 220.3 18.95 18 220.4 15.55 15 220.5 10.29 10 220.6 4.63 4 220.7 0.65 0 //