ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007432
RECORD_TITLE: 1-METHOXY-4-METHYLBENZENE; CI-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$NAME: 1-METHOXY-4-METHYLBENZENE
CH$NAME: PARA-METHYLANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
CH$LINK: CAS 104-93-8
CH$LINK: INCHIKEY CHLICZRVGGXEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026710

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00di-0900000000-089b2e084b287da51168
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  77 0.5 5
  79 1.26 13
  91 1.19 12
  107 2.31 23
  121 7.99 80
  122 39.31 393
  123 99.99 999
  124 9.07 91
  125 0.64 6
  135 1.36 14
  163 5.19 52
  164 0.57 6
  165 0.71 7
//