MassBank Record: JP001303

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ACETIC ACID ISOBUTYL ESTER; EI-B; MS

Mass Spectrum
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ACCESSION: JP001303
RECORD_TITLE: ACETIC ACID ISOBUTYL 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

CH$NAME: ISOBUTYL ACETATE
CH$NAME: ACETIC ACID ISOBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373000000000274667399935424327850341796875
CH$SMILES: CC(C)COC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
CH$LINK: COMPTOX DTXSID5026837
CH$LINK: INCHIKEY GJRQTCIYDGXPES-UHFFFAOYSA-N

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-47909851abe2172156c6
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 3.04 30
  27 3.35 34
  28 1.44 14
  29 3.9 39
  31 1 10
  39 3.16 32
  41 10.59 106
  42 2.23 22
  43 99.99 999
  44 2.35 24
  55 2.42 24
  56 29.93 299
  57 3.22 32
  61 2.79 28
  71 3.16 32
  73 17.35 174
  74 1.8 18
  86 2.04 20
//