ACCESSION: MSBNK-RIKEN_NPDepo-NGA03116
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-00di-7590000000-93528c4ad2de56774a0e
PK$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
//