MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001314

ACETIC ACID ISOPROPENYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001314
RECORD_TITLE: ACETIC ACID ISOPROPENYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: ACETIC ACID ISOPROPENYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-128dcfaeaaf8ba85fe02
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  14 1.29 13
  15 6.08 61
  27 2.09 21
  28 1.11 11
  29 1.6 16
  38 1.11 11
  39 5.53 55
  40 1 10
  41 7.01 70
  42 3.87 39
  43 99.99 999
  44 2.21 22
  57 2.46 25
  58 16.04 160
  72 7.34 73
  100 4.43 44
//