MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005898

ISOBUTYL PROPIONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005898
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 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-60240572ee92c5e157f9
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  29 13.86 139
  41 6.43 64
  43 2.41 24
  55 1.2 12
  56 43.37 434
  57 99.99 999
  58 3.61 36
  71 4.62 46
  73 3.11 31
  74 2.11 21
  75 10.64 106
  87 12.75 128
  88 1.2 12
  100 1.71 17
//