ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008084
RECORD_TITLE: ORTHO-METHOXYTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-METHOXYTOLUENE
CH$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$LINK: INCHIKEY DTFKRVXLBCAIOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060368

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-4900000000-4265bf894117634579fe
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 1.25 13
  53 2.08 21
  65 3.75 38
  77 19.88 199
  78 4.37 44
  79 16.86 169
  80 1.25 13
  89 1.56 16
  90 5.31 53
  91 24.04 240
  92 10.41 104
  93 2.19 22
  107 44.64 446
  108 3.64 36
  121 12.49 125
  122 99.99 999
  123 9.47 95
//