MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007832

3-METHYLINDOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007832
RECORD_TITLE: 3-METHYLINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉N
CH$EXACT_MASS: 131.07350
CH$SMILES: CC1=CNC2=CC=CC=C12
CH$IUPAC: InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
CH$LINK: CAS 83-34-1
CH$LINK: INCHIKEY ZFRKQXVRDFCRJG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021775

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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 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0ufr-9200000000-251c9585af60abc11fb1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  27 4.31 43
  28 5.72 57
  38 2.91 29
  39 5.82 58
  50 6.52 65
  51 11.62 116
  65 10.52 105
  65.5 6.52 65
  76 4.01 40
  77 17.43 174
  102 6.32 63
  103 10.02 100
  104 2.11 21
  132 5.31 53
//