MassBank Record: JP002652



 3-INDOLEACRYLIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002652
RECORD_TITLE: 3-INDOLEACRYLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 3-INDOLEACRYLIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H11NO2 CH$EXACT_MASS: 201.07898 CH$SMILES: COC(=O)C=Cc(c1)c(c2)c(ccc2)n1 CH$IUPAC: InChI=1S/C12H11NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-8,13H,1H3/b7-6+
AC$INSTRUMENT: JEOL JMS-01-SG AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-1900000000-e32b1efad45ef203fff8 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 42 4 40 63 5.6 56 67 8.1 81 70 0.65 7 71 13 130 89 5.6 56 100 9.7 97 107 0.73 7 114 12.1 121 115 46.3 463 116 5.6 56 130 1.3 13 140 5.6 56 141 15.4 154 142 17 170 143 2.03 20 156 9.7 97 170 99.99 999 171 13 130 201 8.37 84 202 6.5 65 //