ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004423
RECORD_TITLE: 3-BENZOYLINDOLE; 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$NAME: 3-BENZOYLINDOLE
CH$NAME: 3-INDOLYL PHENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₁NO
CH$EXACT_MASS: 221.08406
CH$SMILES: C1=CC=C(C=C1)C(=O)C2=CNC3=CC=CC=C32
CH$IUPAC: InChI=1S/C15H11NO/c17-15(11-6-2-1-3-7-11)13-10-16-14-9-5-4-8-12(13)14/h1-10,16H
CH$LINK: INCHIKEY ADHQLIGSIQGNBW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10164980

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$SPLASH: splash10-00di-9380000000-59fffd0dc170fe4b97b9
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  41 9.3 93
  43 16 160
  44 1.7 17
  45 1.2 12
  55 11.1 111
  56 2.2 22
  57 20.7 207
  60 0.29 3
  67 1.9 19
  68 1.7 17
  69 32.4 324
  70 0.26 3
  71 10.5 105
  73 2.5 25
  77 9.9 99
  81 1.1 11
  82 1.7 17
  83 5.2 52
  84 1.3 13
  85 0.48 5
  89 9 90
  91 1.3 13
  95 2.6 26
  96 0.11 1
  97 3.4 34
  105 8.2 82
  109 1.2 12
  111 0.16 2
  115 1.6 16
  116 2.8 28
  137 1.5 15
  143 0.17 2
  144 37.6 376
  145 1.1 11
  149 3.4 34
  165 0.14 1
  193 2.4 24
  204 5 50
  220 18.4 184
  221 99.99 999
  222 16 160
//