ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007833
RECORD_TITLE: 5-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

CH$NAME: 5-METHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉N
CH$EXACT_MASS: 131.07350
CH$SMILES: CC1=CC2=C(C=C1)NC=C2
CH$IUPAC: InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
CH$LINK: CAS 614-96-0
CH$LINK: INCHIKEY YPKBCLZFIYBSHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060638

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-3900000000-ae16057ea0b205f12791
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  27 3.82 38
  28 1.98 20
  38 3.11 31
  39 6.52 65
  51 14.52 145
  52 8.92 89
  65 10.12 101
  65.5 7.42 74
  77 18.53 185
  78 4.21 42
  102 5.92 59
  103 10.62 106
  104 3.61 36
  130 99.99 999
  131 83.18 832
  132 8.12 81
//