MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005914

ISOPROPENYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005914
RECORD_TITLE: ISOPROPENYL ACETATE; 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$NAME: ISOPROPENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: CC(=C)OC(C)=O
CH$IUPAC: InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
CH$LINK: INCHIKEY HETCEOQFVDFGSY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3031492

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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$SPLASH: splash10-0006-9000000000-7d920a7c76b7d2f86044
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  39 1.61 16
  41 6.43 64
  42 1.4 14
  43 99.99 999
  44 2.68 27
  67 2.15 22
  68 24.23 242
  72 11.37 114
  100 9.87 99
//