ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000205
RECORD_TITLE: ORTHO METHOXYTOLUENE; 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

CH$NAME: ORTHO METHOXYTOLUENE
CH$NAME: ORTHO METHYL ANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
CH$LINK: COMPTOX DTXSID9060368
CH$LINK: INCHIKEY DTFKRVXLBCAIOZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:33637

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05i3-9400000000-3b1219b1f5ef72ae8bca
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 2.39 24
  27 12.41 124
  29 4.09 41
  38 4.91 49
  39 27.97 280
  41 8.87 89
  43 13.78 138
  50 10.37 104
  51 22.44 224
  52 12 120
  53 10.57 106
  55 6.68 67
  57 3.34 33
  61 1.5 15
  62 4.09 41
  63 12.21 122
  64 4.09 41
  65 24.49 245
  66 2.05 21
  70 4.91 49
  71 3.75 38
  77 76.06 761
  78 17.67 177
  79 42.29 423
  89 9.41 94
  90 9.07 91
  91 53.07 531
  92 21.83 218
  93 6.55 66
  107 71.9 719
  108 7.5 75
  120 16.51 165
  121 25.58 256
  122 99.99 999
  123 8.73 87
//