ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004693
RECORD_TITLE: TOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: TOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈
CH$EXACT_MASS: 92.06260
CH$SMILES: Cc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
CH$LINK: CAS 108-88-3
CH$LINK: INCHIKEY YXFVVABEGXRONW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021360

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-52239a45c9c9b566eb6b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  45 8.93 89
  46 9.15 92
  49 1.2 12
  50 11.62 116
  51 22.81 228
  52 6.08 61
  53 3.64 36
  61 5 50
  62 10.23 102
  63 26.93 269
  64 6.08 61
  65 49.52 495
  66 5.25 53
  75 1.07 11
  77 2.02 20
  89 3.8 38
  90 2.28 23
  91 99.99 999
  92 71.54 715
  93 5.41 54
//