MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002539

N-BUTYL PROPIONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002539
RECORD_TITLE: N-BUTYL 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$NAME: N-BUTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCOC(=O)CC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY BTMVHUNTONAYDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027223

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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$SPLASH: splash10-0a6r-9000000000-e56127e16d22512455a7
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 1.03 10
  26 2.34 23
  27 16.07 161
  28 8.37 84
  29 52.1 521
  30 1.46 15
  31 3.33 33
  39 4.31 43
  40 1 10
  41 19.31 193
  42 1.29 13
  43 3.08 31
  55 7.11 71
  56 48.87 489
  57 99.99 999
  58 3.58 36
  71 3.36 34
  73 1.88 19
  74 3.6 36
  75 36.78 368
  76 1.43 14
  87 8.88 89
  101 1.44 14
//