ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004014
RECORD_TITLE: ORTHO-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$NAME: ORTHO-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
CH$LINK: INCHIKEY QWVGKYWNOKOFNN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021808

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$SPLASH: splash10-0pbi-9200000000-be9e6e56af8374e66beb
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  29 13 130
  31 1.5 15
  32 1.1 11
  36 0.3 3
  37 13 130
  38 19.1 191
  39 42.2 422
  40 0.55 6
  41 3.1 31
  42 2 20
  43 3.8 38
  48 0.17 2
  49 5 50
  50 24.2 242
  51 32.2 322
  52 1.4 14
  53 22.6 226
  54 6.5 65
  55 5.3 53
  61 0.39 4
  62 6.2 62
  63 13.9 139
  64 7.9 79
  65 0.65 7
  66 6.2 62
  67 1.3 13
  68 3.9 39
  73 0.2 2
  74 4.1 41
  75 4.5 45
  76 1.9 19
  77 4.61 46
  78 14 140
  79 42 420
  80 18.8 188
  81 0.42 4
  89 14.2 142
  90 28 280
  91 8.8 88
  107 8.87 89
  108 99.99 999
  109 6.7 67
//