ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005255
RECORD_TITLE: 4-(3-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$NAME: 4-(3-INDOLYL)BUTYLIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H15NO2
CH$EXACT_MASS: 217.11028
CH$SMILES: COC(=O)CCCC1=CNC2=CC=CC=C21
CH$IUPAC: InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3
CH$LINK: INCHIKEY ZEJUFCOACOWDPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90165990
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$SPLASH: splash10-001i-2910000000-5327d876d1a3abcbaf98
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  40 4.58 46
  44 9.14 91
  51 5.03 50
  57 2.75 28
  63 1.84 18
  65 4.58 46
  77 7.32 73
  79 5.03 50
  102 2.75 28
  103 5.95 60
  115 2.75 28
  117 2.29 23
  130 99.99 999
  131 12.8 128
  143 22.84 228
  144 6.4 64
  156 3.66 37
  157 1.84 18
  186 9.6 96
  206 2.29 23
  217 29.69 297
  218 4.58 46
//
