ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005047
RECORD_TITLE: 2-(2-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$NAME: 2-(2-METHYLBENZOYL)INDOLE
CH$NAME: 2-INDOLYL O-TOLYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13NO
CH$EXACT_MASS: 235.09971
CH$SMILES: CC1=CC=CC=C1C(=O)C2=CC3=CC=CC=C3N2
CH$IUPAC: InChI=1S/C16H13NO/c1-11-6-2-4-8-13(11)16(18)15-10-12-7-3-5-9-14(12)17-15/h2-10,17H,1H3
CH$LINK: INCHIKEY WIUFCDBYZXHKSE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90346944
AC$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: splash10-000i-3190000000-0f0cc3cdbeca594bbda0
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  39 3 30
  41 2.8 28
  43 4.5 45
  55 0.15 2
  57 1.6 16
  63 3 30
  65 5.6 56
  69 0.69 7
  77 1.4 14
  81 1.9 19
  89 29.8 298
  90 1.27 13
  91 26.9 269
  115 3 30
  116 3.4 34
  117 0.15 2
  118 9.8 98
  119 4.5 45
  130 9.4 94
  143 0.16 2
  144 9.8 98
  178 1.1 11
  204 5.3 53
  205 0.16 2
  206 13.9 139
  207 6.9 69
  216 7.2 72
  217 1.02 10
  218 37.8 378
  219 4.4 44
  220 4.9 49
  235 99.99 999
  236 15.3 153
//
