MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005172

BUTYL PROPIONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005172
RECORD_TITLE: 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$NAME: BUTYL PROPIONATE
CH$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 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-59f1a9e240d24464e512
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  28 1.41 14
  29 19.91 199
  31 1.28 13
  41 11.91 119
  43 2.05 21
  55 7.17 72
  56 65.25 653
  57 99.99 999
  58 3.45 35
  71 4.29 43
  73 2.62 26
  74 5.12 51
  75 51.86 519
  76 2.11 21
  87 12.42 124
  100 1.09 11
  101 1.79 18
//