MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008085

PARA-METHOXYTOLUENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008085
RECORD_TITLE: PARA-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

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CH$NAME: PARA-METHOXYTOLUENE
CH$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$LINK: INCHIKEY CHLICZRVGGXEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026710

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00di-3900000000-535daa03648438d6866f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 1.29 13
  53 2.26 23
  65 2.58 26
  77 17.45 175
  78 4.2 42
  79 19.71 197
  80 1.62 16
  90 1.13 11
  91 14.38 144
  92 6.95 70
  93 1.29 13
  107 24.39 244
  108 2.1 21
  120 1.13 11
  121 30.21 302
  122 99.99 999
  123 9.21 92
//