ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005046
RECORD_TITLE: 3-(4-METHYLBENZOYL)INDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3-(4-METHYLBENZOYL)INDOLE
CH$NAME: 3-INDOLYL P-TOLYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13NO
CH$EXACT_MASS: 235.09971
CH$SMILES: CC1=CC=C(C=C1)C(=O)C2=CNC3=CC=CC=C32
CH$IUPAC: InChI=1S/C16H13NO/c1-11-6-8-12(9-7-11)16(18)14-10-17-15-5-3-2-4-13(14)15/h2-10,17H,1H3
CH$LINK: INCHIKEY YHMFTSPEASEZMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10343339
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000f-4930000000-d99f251f41bc82b1e835
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  39 3.4 34
  41 3.3 33
  43 4.6 46
  44 0.12 1
  45 1.8 18
  55 3.6 36
  57 4.1 41
  63 0.41 4
  65 7.3 73
  69 2.9 29
  71 1.1 11
  83 0.14 1
  88 1.1 11
  89 23.8 238
  90 3 30
  91 1.22 12
  103.5 2.8 28
  115 2.8 28
  116 23.8 238
  117 0.14 1
  119 1.9 19
  143 1.8 18
  144 99.99 999
  145 0.94 9
  178 1.3 13
  206 3 30
  207 1.9 19
  220 0.33 3
  234 3.4 34
  235 43.8 438
  236 6.2 62
//
