MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008481

METHYL BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008481
RECORD_TITLE: METHYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6r-9800000000-898ce08cbfefd77e3d38
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 3.93 39
  27 1.89 19
  29 3.51 35
  30 1.02 10
  38 1.74 17
  39 2.47 25
  50 14.24 142
  51 31.45 315
  52 1.53 15
  74 4.79 48
  75 2.64 26
  76 4.71 47
  77 67.16 672
  78 5.06 51
  91 1.68 17
  92 1.77 18
  105 99.99 999
  106 7.84 78
  135 1.43 14
  136 34.32 343
  137 2.69 27
//