MassBank Record: JP002640



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

ACCESSION: JP002640
RECORD_TITLE: 3-INDOLEPROPIONIC 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$NAME: 3-INDOLEPROPIONIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H13NO2 CH$EXACT_MASS: 203.09463 CH$SMILES: COC(=O)CCc(c1)c(c2)c(ccc2)n1 CH$IUPAC: InChI=1S/C12H13NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2,1H3
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$SPLASH: splash10-001i-1910000000-bf9da59907b5908134d8 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 39 2.5 25 41 3.5 35 42 3 30 51 0.65 7 56 2.5 25 65 2.5 25 89 2.5 25 103 0.25 3 115 7.5 75 129 3 30 130 99.99 999 131 0.9 9 142 3 30 143 7.5 75 144 6 60 186 0.1 1 203 21.1 211 204 2.5 25 //