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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001497

ISOBUTYL PROPIONATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001497
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY FZXRXKLUIMKDEL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060240

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9000000000-696dd19162629b887c12
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 1.09 11
  26 1.27 13
  27 10.69 107
  28 4.15 42
  29 34.47 345
  31 2.55 26
  39 4.22 42
  41 1.51 15
  43 4.43 44
  55 2.29 23
  56 36.1 361
  57 99.99 999
  58 3.78 38
  71 3.75 38
  73 2.86 29
  74 1.72 17
  75 9.32 93
  87 10.42 104
  100 1.36 14
//

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