MassBank Record: NGA03116



 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03116
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-00di-7590000000-93528c4ad2de56774a0e PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 71.3 0.74 0 71.4 2.78 2 71.5 6.86 6 71.6 13.29 13 71.7 22.93 22 71.8 36.33 36 71.9 51.45 51 72.0 63.86 63 72.1 70.26 70 72.2 70.07 69 72.3 62.88 62 72.4 48.0 47 72.5 28.0 27 72.6 9.86 9 72.7 0.23 0 89.7 2.29 2 89.8 3.7 3 89.9 5.39 5 90.0 6.9 6 90.1 7.81 7 90.2 7.9 7 90.3 7.13 7 90.4 5.47 5 90.5 3.2 3 130.4 0.87 0 130.5 2.17 2 130.6 4.61 4 130.7 8.39 8 130.8 13.13 13 130.9 17.71 17 131.0 20.85 20 131.1 21.83 21 131.2 20.52 20 131.3 16.93 16 131.4 11.48 11 131.5 5.6 5 131.6 1.27 1 174.4 1.29 1 174.5 3.66 3 174.6 7.78 7 174.7 13.93 13 174.8 21.96 21 174.9 30.63 30 175.0 37.7 37 175.1 41.2 41 175.2 40.17 40 175.3 34.28 34 175.4 24.06 24 175.5 12.21 12 175.6 2.96 2 219.3 0.12 0 219.4 1.15 1 219.5 5.22 5 219.6 13.43 13 219.7 26.41 26 219.8 44.06 44 219.9 64.62 64 220.0 83.88 83 220.1 96.66 96 220.2 100.0 99 220.3 93.5 93 220.4 77.12 77 220.5 52.21 52 220.6 25.11 25 220.7 5.11 5 220.8 0.0 0 //