ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005254
RECORD_TITLE: 4-(2-INDOLYL)BUTYLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-(2-INDOLYL)BUTYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H15NO2
CH$EXACT_MASS: 217.11028
CH$SMILES: COC(=O)CCCC1=CC2=CC=CC=C2N1
CH$IUPAC: InChI=1S/C13H15NO2/c1-16-13(15)8-4-6-11-9-10-5-2-3-7-12(10)14-11/h2-3,5,7,9,14H,4,6,8H2,1H3
CH$LINK: INCHIKEY GHQNBSPRKLUEKB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60342534
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-0930000000-4f282b2d9c3f57614da7
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  117 1.01 10
  130 99.99 999
  131 10.02 100
  143 22.03 220
  144 4.51 45
  156 1.01 10
  157 1.01 10
  186 7.02 70
  187 1.01 10
  217 44.05 441
  218 5.51 55
//
