ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000434
RECORD_TITLE: 3-FORMYL-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$NAME: 3-FORMYL-1-METHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9NO
CH$EXACT_MASS: 159.06841
CH$SMILES: O=Cc(c1)c(c2)c(ccc2)n(C)1
CH$IUPAC: InChI=1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
CH$LINK: INCHIKEY KXYBYRKRRGSZCX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50172483
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$SPLASH: splash10-0a4i-2900000000-1c590065e5994857e1ce
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39 4 40
  50 1 10
  51 4.5 45
  62 0.22 2
  63 8 80
  66 2.7 27
  75 2.4 24
  76 0.13 1
  77 19 190
  88 1.9 19
  89 10 100
  101 0.19 2
  102 4.5 45
  103 12.2 122
  115 2.4 24
  116 0.15 2
  128 1.9 19
  129 1.2 12
  130 14.5 145
  131 0.11 1
  157 2 20
  158 99.99 999
  159 88 880
  160 7.6 76
//
