MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006393

ISOBUTYL PROPIONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006393
RECORD_TITLE: ISOBUTYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU 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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-9000000000-3034700b4ba8624cd760
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  26 1.56 16
  27 10.05 101
  29 27.64 276
  30 1.35 14
  31 2.32 23
  39 4.32 43
  41 11.87 119
  42 2.05 21
  43 3.74 37
  55 1.92 19
  56 29.3 293
  57 99.99 999
  58 3.55 36
  71 2.61 26
  73 2.31 23
  74 1.5 15
  75 6.66 67
  87 8.94 89
//