MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001497

ISOBUTYL PROPIONATE; EI-B; MS

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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

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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

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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$SPLASH: splash10-0a4i-9000000000-696dd19162629b887c12
PK$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
//