MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006392

BUTYL PROPIONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006392
RECORD_TITLE: BUTYL 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$NAME: BUTYL PROPIONATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6r-9000000000-37f42e865be80a64a749
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 1.3 13
  26 3.61 36
  27 24.44 244
  28 11.31 113
  29 58.81 588
  30 1.48 15
  31 3.71 37
  39 6.59 66
  40 1.04 10
  41 21.81 218
  42 2.5 25
  43 3.58 36
  55 7.15 72
  56 37.02 370
  57 99.99 999
  58 3.56 36
  71 2.35 24
  73 1.38 14
  74 2.68 27
  75 26.22 262
  87 6.38 64
//