ACCESSION: MSBNK-RIKEN_NPDepo-CB000269
RECORD_TITLE: 2-dimethylaminoethyl cinnamate; LC-ESI-QQQ; MS; [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$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00xr-0960000000-8b457545fa6ef859c0f2
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  102.4000 1325719.6250 130
  102.5000 2750758.5000 271
  102.6000 3843711.2500 379
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  222.2000 224453.5000 21
//