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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005904

BENZYL PROPIONATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005904
RECORD_TITLE: BENZYL PROPIONATE; 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

CH$NAME: BENZYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
CH$LINK: INCHIKEY VHOMAPWVLKRQAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4044791

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-7900000000-109613ef09be02e42d1a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  28 1.11 11
  29 9.09 91
  57 35.92 359
  58 1.55 16
  65 2.22 22
  77 2.22 22
  78 1.11 11
  79 11.09 111
  80 1.33 13
  89 2 20
  90 19.29 193
  91 57.21 572
  92 4.88 49
  105 2.88 29
  106 1.11 11
  107 10.42 104
  108 99.99 999
  109 8.87 89
  164 40.8 408
  165 5.1 51
//

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