MassBank MassBank Search Contents Download

MassBank Record: MSBNK-RIKEN_NPDepo-NGA03115

2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_NPDepo-NGA03115
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-00di-9810000000-e0ba0c988fd67ca675e8
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  71.3 1.47 1
  71.4 3.78 3
  71.5 8.93 8
  71.6 18.14 18
  71.7 32.11 32
  71.8 50.48 50
  71.9 70.98 70
  72.0 89.15 89
  72.1 99.94 99
  72.2 100.0 99
  72.3 88.19 88
  72.4 65.64 65
  72.5 37.56 37
  72.6 13.07 13
  72.7 0.47 0
  89.6 1.94 1
  89.7 3.26 3
  89.8 5.1 5
  89.9 7.23 7
  90.0 9.03 9
  90.1 9.77 9
  90.2 9.3 9
  90.3 8.0 7
  90.4 6.15 6
  90.5 3.86 3
  90.6 1.59 1
  130.3 0.74 0
  130.4 2.53 2
  130.5 5.96 5
  130.6 11.14 11
  130.7 18.19 18
  130.8 27.28 27
  130.9 37.19 37
  131.0 44.71 44
  131.1 46.95 46
  131.2 43.88 43
  131.3 36.94 36
  131.4 26.91 26
  131.5 15.03 15
  131.6 4.7 4
  131.7 0.2 0
  174.3 0.44 0
  174.4 1.88 1
  174.5 5.2 5
  174.6 10.91 10
  174.7 19.11 19
  174.8 29.43 29
  174.9 40.65 40
  175.0 50.25 50
  175.1 55.26 55
  175.2 54.15 54
  175.3 47.11 47
  175.4 35.12 35
  175.5 20.41 20
  175.6 7.28 7
  175.7 0.1 0
  219.5 0.94 0
  219.6 2.41 2
  219.7 5.04 5
  219.8 8.9 8
  219.9 13.4 13
  220.0 17.4 17
  220.1 19.83 19
  220.2 20.33 20
  220.3 18.95 18
  220.4 15.55 15
  220.5 10.29 10
  220.6 4.63 4
  220.7 0.65 0
//

system version 2.2
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo