ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004015
RECORD_TITLE: META-METHYLPHENOL; 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$NAME: META-METHYLPHENOL
CH$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

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a4i-9700000000-987a7fd82a03c828f2f6
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  26 5 50
  27 18.8 188
  28 3.2 32
  29 0.5 5
  37 4.9 49
  38 12.4 124
  39 32.5 325
  40 0.41 4
  41 2.9 29
  42 1.3 13
  43 2.1 21
  49 0.2 2
  50 11 110
  51 18 180
  52 8.1 81
  53 1.62 16
  54 6.5 65
  55 4.5 45
  56 2 20
  61 0.21 2
  62 4 40
  63 9.2 92
  64 2.9 29
  65 0.51 5
  66 2.3 23
  67 1.5 15
  68 1 10
  74 0.29 3
  75 3 30
  76 1.5 15
  77 30.2 302
  78 0.85 9
  79 34 340
  80 8.3 83
  81 2.3 23
  89 0.42 4
  90 11 110
  91 7.2 72
  107 94 940
  108 99.99 999
  109 8.1 81
//