MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004945

METHYL BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004945
RECORD_TITLE: METHYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: CAS 93-58-3
CH$LINK: INCHIKEY QPJVMBTYPHYUOC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025572

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-056r-9700000000-798ac6947aeb7428e12c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  44 1.77 18
  50 10.14 101
  51 23.3 233
  52 1.32 13
  53 1.04 10
  74 3.12 31
  75 2.67 27
  76 3.45 35
  77 61.22 612
  78 61.22 612
  91 2.05 21
  92 2.08 21
  105 99.99 999
  106 8.29 83
  135 1.86 19
  136 39.66 397
  137 3.12 31
//