ACCESSION: MSBNK-RIKEN_NPDepo-NGA03114
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Carboxylic acids

CH$NAME: 2-dimethylaminoethyl cinnamate
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C₁₃H₁₇NO₂
CH$EXACT_MASS: 219.2859
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$LINK: INCHIKEY BWJAQVSVFPHGSU-CMDGGOBGSA-N
CH$LINK: PUBCHEM CID:1551581

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$SPLASH: splash10-00di-7900000000-4af187e6281e5c0c70f1
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  71.2 0.58 0
  71.3 2.0 1
  71.4 5.56 5
  71.5 11.63 11
  71.6 20.82 20
  71.7 34.21 34
  71.8 51.76 51
  71.9 70.96 70
  72.0 87.59 87
  72.1 97.97 97
  72.2 100.0 99
  72.3 91.99 91
  72.4 72.7 72
  72.5 44.94 44
  72.6 17.77 17
  72.7 1.02 1
  89.6 1.29 1
  89.7 2.59 2
  89.8 4.32 4
  89.9 6.15 6
  90.0 7.58 7
  90.1 8.23 8
  90.2 8.04 8
  90.3 7.15 7
  90.4 5.62 5
  90.5 3.57 3
  90.6 1.52 1
  102.5 1.69 1
  102.6 2.89 2
  102.7 4.68 4
  102.8 6.99 6
  102.9 9.32 9
  103.0 11.0 10
  103.1 11.66 11
  103.2 11.22 11
  103.3 9.57 9
  103.4 6.69 6
  103.5 3.32 3
  130.2 0.12 0
  130.3 1.11 1
  130.4 3.85 3
  130.5 8.77 8
  130.6 16.53 16
  130.7 27.95 27
  130.8 42.4 42
  130.9 56.44 56
  131.0 65.51 65
  131.1 67.6 67
  131.2 63.79 63
  131.3 55.09 55
  131.4 41.07 41
  131.5 23.3 23
  131.6 7.43 7
  131.7 0.0 0
  174.3 0.27 0
  174.4 1.45 1
  174.5 4.41 4
  174.6 9.4 9
  174.7 16.33 16
  174.8 24.86 24
  174.9 33.96 33
  175.0 41.51 41
  175.1 45.55 45
  175.2 45.51 45
  175.3 41.33 41
  175.4 32.46 32
  175.5 19.82 19
  175.6 7.45 7
  175.7 0.32 0
//