MassBank Record: JP002635



 INDOLE-2-CARBOXYLIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002635
RECORD_TITLE: INDOLE-2-CARBOXYLIC 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$NAME: INDOLE-2-CARBOXYLIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H9NO2 CH$EXACT_MASS: 175.06333 CH$SMILES: COC(=O)c(c1)nc(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C10H9NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-6,11H,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$SPLASH: splash10-0006-0900000000-392d66eda5360eb8f39d PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 42 2.3 23 62 5.8 58 63 8.6 86 89 1.84 18 115 2.7 27 116 21.9 219 117 3.1 31 144 99.99 999 145 11.3 113 146 3.1 31 175 49.4 494 176 4.3 43 //