MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000036

METHYL BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000036
RECORD_TITLE: METHYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL BENZOATE
CH$NAME: BENZOIC ACID METHYL ESTER
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-3900000000-c8e85f0df98caa46623c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  50 2.36 24
  51 7.09 71
  76 1.7 17
  77 48.18 482
  78 3.16 32
  105 99.99 999
  106 8.03 80
  135 1.94 19
  136 31.22 312
  137 2.69 27
//