MassBank Record: NGA03113



 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03113
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00di-5900000000-121432e23a980e980198 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 69.7 2.35 2 69.8 3.67 3 69.9 5.16 5 70.0 6.41 6 70.1 7.05 7 70.2 6.81 6 70.3 5.63 5 70.4 3.73 3 71.3 1.32 1 71.4 3.65 3 71.5 9.18 9 71.6 19.54 19 71.7 35.73 35 71.8 56.45 56 71.9 77.23 77 72.0 92.67 92 72.1 100.0 99 72.2 99.13 99 72.3 89.23 89 72.4 68.7 68 72.5 40.62 40 72.6 14.62 14 72.7 0.31 0 102.3 0.48 0 102.4 3.25 3 102.5 9.59 9 102.6 19.67 19 102.7 32.71 32 102.8 46.99 46 102.9 59.71 59 103.0 67.91 67 103.1 70.42 70 103.2 67.84 67 103.3 59.8 59 103.4 45.06 45 103.5 25.65 25 103.6 8.3 8 103.7 0.0 0 130.3 1.06 1 130.4 3.96 3 130.5 9.93 9 130.6 19.58 19 130.7 32.69 32 130.8 48.15 48 130.9 63.32 63 131.0 74.08 74 131.1 77.08 77 131.2 72.0 71 131.3 60.27 60 131.4 43.25 43 131.5 23.73 23 131.6 7.28 7 131.7 0.0 0 174.5 1.71 1 174.6 3.28 3 174.7 5.29 5 174.8 7.82 7 174.9 10.7 10 175.0 13.38 13 175.1 15.08 15 175.2 15.1 15 175.3 13.02 13 175.4 9.13 9 175.5 4.66 4 175.6 1.2 1 //