MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006808

TOLUENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006808
RECORD_TITLE: TOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: TOLUENE
CH$NAME: METHYLBENZENE
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: INCHIKEY YXFVVABEGXRONW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021360

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-9484aa3a95c9d0168f91
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  38 1.33 13
  39 8.37 84
  40 1 10
  41 1.2 12
  45 2.33 23
  45.5 1 10
  46 1.33 13
  50 2.33 23
  51 4.98 50
  52 1.46 15
  62 1.66 17
  63 5.32 53
  64 1.2 12
  65 11.69 117
  66 1.2 12
  89 3.32 33
  90 2.33 23
  91 99.99 999
  92 87.04 870
  93 6.98 70
//