ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000428
RECORD_TITLE: 3-FORMYLINDOLE; 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$NAME: 3-FORMYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇NO
CH$EXACT_MASS: 145.05276
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
CH$IUPAC: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060069

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$SPLASH: splash10-00kp-7900000000-cfb69fae32949705791f
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  39 18.1 181
  40 1.1 11
  41 9.8 98
  42 0.11 1
  43 11 110
  44 1.1 11
  45 4.3 43
  50 0.31 3
  51 9.9 99
  52 1.9 19
  55 7.2 72
  56 0.17 2
  57 7.2 72
  58 1.9 19
  58.5 9.8 98
  60 0.4 4
  61 2.1 21
  62 11 110
  63 27 270
  64 0.38 4
  65 1.5 15
  67 1.8 18
  68 1.8 18
  69 0.95 10
  70 1.8 18
  71 2.7 27
  72 2.3 23
  73 0.47 5
  74 1.3 13
  75 1.1 11
  81 5.8 58
  82 0.11 1
  83 2.8 28
  84 1.1 11
  85 1.5 15
  86 0.1 1
  87 3.1 31
  88 3.9 39
  89 50 500
  90 0.76 8
  93 1 10
  95 1.4 14
  97 1.5 15
  114 0.14 1
  115 39 390
  116 35 350
  117 3.8 38
  137 0.11 1
  143 2.7 27
  144 99.99 999
  145 86 860
  146 6.1 61
//