ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004433
RECORD_TITLE: 2-BENZOYL-1-METHYL(3-2H1)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$NAME: 2-BENZOYL-1-METHYL(3-2H1)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13NO
CH$EXACT_MASS: 235.09971
CH$SMILES: c(c3)ccc(c3)C(=O)c(c([2H])1)n(C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H13NO/c1-17-14-10-6-5-9-13(14)11-15(17)16(18)12-7-3-2-4-8-12/h2-11H,1H3/i11D
CH$LINK: INCHIKEY NMPRIZDUHXAJTF-WORMITQPSA-N
AC$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-4190000000-47907a40d90a07182084
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  41 1.4 14
  43 1.4 14
  51 9.5 95
  57 0.13 1
  63 3.9 39
  69 2.3 23
  76 1.8 18
  77 5.16 52
  78 11.6 116
  89 33.9 339
  90 18.4 184
  91 0.62 6
  102 1.8 18
  103 2.6 26
  104 1.3 13
  105 1.51 15
  115 1.9 19
  128 3.3 33
  129 2.6 26
  130 0.86 9
  131 4.4 44
  158 8.9 89
  159 1.4 14
  165 0.1 1
  204 1.8 18
  205 1.3 13
  206 4.6 46
  207 0.25 3
  217 2.3 23
  218 4 40
  219 3.4 34
  220 0.14 1
  233 4.1 41
  234 66.1 661
  235 99.99 999
  236 4.19 42
  237 4 40
//
