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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007430

1-METHOXY-2-METHYLBENZENE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007430
RECORD_TITLE: 1-METHOXY-2-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$NAME: 1-METHOXY-2-METHYLBENZENE
CH$NAME: ORTHO-METHYLANISOLE
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: CAS 578-58-5
CH$LINK: INCHIKEY DTFKRVXLBCAIOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060368

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$SPLASH: splash10-00di-0900000000-fd744e4c067e97da8724
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  77 2.57 26
  78 1.9 19
  79 4.16 42
  89 0.86 9
  90 1.03 10
  91 5.17 52
  92 1.92 19
  93 0.58 6
  107 7.8 78
  108 0.9 9
  121 7.62 76
  122 40.62 406
  123 99.99 999
  124 4.4 44
  125 0.56 6
  163 1.48 15
  165 0.65 7
//

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