MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005421

M-CRESOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005421
RECORD_TITLE: M-CRESOL; 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$NAME: M-CRESOL
CH$NAME: 3-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
CH$LINK: INCHIKEY RLSSMJSEOOYNOY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024200

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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$SPLASH: splash10-0a4i-5900000000-80356192ec6d2f2cce17
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3.43 34
  38 2.18 22
  39 8.27 83
  40 1.41 14
  41 1.09 11
  50 2.61 26
  51 5.17 52
  52 2.61 26
  53 5.49 55
  54 2.72 27
  55 1.74 17
  63 2.83 28
  65 2.18 22
  77 15.77 158
  78 3.37 34
  79 19.25 193
  80 6.09 61
  89 2.66 27
  90 9.79 98
  91 4.73 47
  107 76.4 764
  108 99.99 999
  109 8.54 85
//