MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005186

BUTYL PROPIONATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005186
RECORD_TITLE: BUTYL PROPIONATE; CI-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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-001i-4900000000-41db17d7771b889f24b2
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  75 49.27 493
  115 2.71 27
  131 99.99 999
  132 7.68 77
//