MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005969

METHYL BENZOATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005969
RECORD_TITLE: METHYL BENZOATE; 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

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CH$NAME: METHYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
CH$LINK: INCHIKEY QPJVMBTYPHYUOC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025572

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0a4r-2900000000-0d27c93c06f2d27bed8a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  76 2.77 28
  77 44.54 445
  78 3.28 33
  91 7.03 70
  92 4.66 47
  93 1.62 16
  104 2.64 26
  105 99.99 999
  106 8.15 82
  135 14.96 150
  136 57.24 572
  137 15.11 151
  138 1.31 13
//