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MassBank Record: MSBNK-RIKEN_NPDepo-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)

ACCESSION: MSBNK-RIKEN_NPDepo-NGA03113
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00di-5900000000-121432e23a980e980198
PK$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
//

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