ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000433
RECORD_TITLE: 3-FORMYL-2-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$NAME: 3-FORMYL-2-METHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₉NO
CH$EXACT_MASS: 159.06841
CH$SMILES: CC1=C(C2=CC=CC=C2N1)C=O
CH$IUPAC: InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3
CH$LINK: INCHIKEY CYZIVXOEJNAIBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1063853

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$SPLASH: splash10-0a4i-6900000000-9ee531786094322361f4
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  39 4.7 47
  41 11.3 113
  42 1.9 19
  43 1.61 16
  44 1.1 11
  45 3.8 38
  50 1.9 19
  51 0.75 8
  52 1.9 19
  53 1 10
  54 1.1 11
  55 1 10
  56 2.8 28
  57 12.9 129
  60 4.8 48
  61 0.11 1
  62 1.4 14
  63 4 40
  64 1.1 11
  65 0.35 4
  67 2.2 22
  68 2.2 22
  69 24.2 242
  70 0.27 3
  71 6.6 66
  73 6.6 66
  74 1.4 14
  75 0.2 2
  76 2.2 22
  77 21 210
  78 1.3 13
  79 0.2 2
  81 7.2 72
  82 1.9 19
  83 5.3 53
  84 0.22 2
  85 3.1 31
  87 1.3 13
  89 2.2 22
  95 0.22 2
  96 1.5 15
  97 3.8 38
  98 1.6 16
  101 0.19 2
  102 5 50
  103 15.5 155
  104 1.6 16
  109 0.11 1
  111 1.6 16
  128 2.2 22
  129 4.3 43
  130 1.42 14
  131 2.2 22
  137 1.1 11
  154 1.7 17
  158 99.99 999
  159 80.6 806
  160 7.2 72
//