MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008052

BUTYRIC ACID PROPYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008052
RECORD_TITLE: BUTYRIC ACID PROPYL ESTER; 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$NAME: BUTYRIC ACID PROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCOC(=O)CCC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY HUAZGNHGCJGYNP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059318

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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$SPLASH: splash10-00du-9000000000-30a3292ce66cabc986f6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3.35 34
  29 1.65 17
  31 3.3 33
  41 9.31 93
  42 14.71 147
  43 66.67 667
  45 2.25 23
  55 0.9 9
  57 1.35 14
  59 6.31 63
  60 13.81 138
  61 10.66 107
  70 1.2 12
  71 99.99 999
  72 4.65 47
  73 9.46 95
  87 1.05 11
  88 5.4 54
  89 67.57 676
  90 3 30
  100 1.2 12
  101 6.01 60
  102 5.41 54
//