ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004435
RECORD_TITLE: 3-BENZOYL-1-METHYLINDOLE; 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$NAME: 3-BENZOYL-1-METHYLINDOLE
CH$NAME: 1-METHYL-3-INDOLYL PHENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₃NO
CH$EXACT_MASS: 235.09971
CH$SMILES: c(c3)ccc(c3)C(=O)c(c([H])1)c(c2)c(ccc2)n(C)1
CH$IUPAC: InChI=1S/C16H13NO/c1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2-11H,1H3
CH$LINK: INCHIKEY STRIBORQTQQOGQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30358480

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$SPLASH: splash10-0a4i-7910000000-aa233f7d45932eedec26
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  40 6.3 63
  42 11.3 113
  44 4.1 41
  55 0.91 9
  56 2.1 21
  57 16 160
  60 2.3 23
  67 0.19 2
  68 1.3 13
  69 24.3 243
  70 2.8 28
  71 0.81 8
  73 2.1 21
  77 9.3 93
  81 9.9 99
  82 0.16 2
  83 5.7 57
  84 1.1 11
  85 3.2 32
  89 0.11 1
  95 3.9 39
  96 1.3 13
  97 4.9 49
  99 0.65 7
  103 4 40
  105 3.4 34
  109 2.2 22
  111 0.27 3
  113 1 10
  123 1.7 17
  125 1.1 11
  129 0.12 1
  130 3.6 36
  137 1.8 18
  149 5.3 53
  158 99.99 999
  159 6.6 66
  167 1.1 11
  234 3 30
  235 5.8 58
  236 6.5 65
//