MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010547

INDOLE-3-CARBALDEHYDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010547
RECORD_TITLE: INDOLE-3-CARBALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

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CH$NAME: INDOLE-3-CARBALDEHYDE
CH$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$LINK: CAS 487-89-8
CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060069

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0007-2900000000-c43b940db5ef735c79d6
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  28 1.14 11
  29 3.49 35
  39 1.44 14
  40 1.96 20
  51 1.73 17
  52 1.56 16
  53 1.26 13
  61 2.19 22
  62 5.89 59
  63 8.68 87
  64 1.95 20
  65 1.06 11
  74 1.89 19
  75 1.34 13
  76 1.1 11
  85 1.12 11
  86 2.22 22
  87 3.57 36
  88 3.94 39
  89 23.46 235
  90 5.38 54
  114 1.72 17
  115 3.37 34
  116 25.88 259
  117 4.89 49
  143 1.52 15
  144 99.99 999
  145 83.21 832
  146 8.72 87
//