MassBank Record: JP001302

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ACETIC ACID BUTYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP001302
RECORD_TITLE: ACETIC ACID BUTYL 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$NAME: BUTYL ACETATE
CH$NAME: ACETIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373000000000274667399935424327850341796875
CH$SMILES: CCCCOC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
CH$LINK: COMPTOX DTXSID3021982
CH$LINK: INCHIKEY DKPFZGUDAPQIHT-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$SPLASH: splash10-0006-9000000000-e7000014bd02a2fabf76
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 3.78 38
  27 5.04 50
  28 3.09 31
  29 6.68 67
  31 1.32 13
  39 2.9 29
  41 14.49 145
  42 2.52 25
  43 99.99 999
  44 2.52 25
  55 7.06 71
  56 39.89 399
  57 3.21 32
  58 1.83 18
  61 12.92 129
  71 1.39 14
  73 14.74 147
  87 1.26 13
//