ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008087
RECORD_TITLE: VERATROL; 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$NAME: VERATROL
CH$NAME: ORTHO-DIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O₂
CH$EXACT_MASS: 138.06808
CH$SMILES: COc(c1)c(OC)ccc1
CH$IUPAC: InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
CH$LINK: INCHIKEY ABDKAPXRBAPSQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047065

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$SPLASH: splash10-000i-7900000000-074bcd0c663f55639243
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  31 1.36 14
  39 1.64 16
  41 10 100
  51 10.36 104
  52 5.29 53
  55 2.5 25
  65 10.36 104
  77 22.79 228
  78 2.71 27
  80 4.43 44
  92 1.57 16
  93 2.36 24
  95 43.07 431
  96 3.21 32
  122 1.43 14
  123 39.86 399
  124 3.14 31
  138 99.99 999
  139 9.21 92
//