MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000304

METHYL BENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000304
RECORD_TITLE: METHYL BENZOATE; 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$NAME: METHYL BENZOATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6r-8900000000-6fca5a5a67e554be1310
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 4.6 46
  27 2.5 25
  29 1.3 13
  37 0.12 1
  38 2.1 21
  39 3.1 31
  49 1.2 12
  50 1.46 15
  51 33 330
  52 1.9 19
  74 4.6 46
  75 0.31 3
  76 4.3 43
  77 69.5 695
  78 5.1 51
  91 0.22 2
  93 3.5 35
  105 99.99 999
  106 7.9 79
  135 0.19 2
  136 36.5 365
  137 3.5 35
//