MassBank Record: JP001687

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ACETIC ACID AMYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP001687
RECORD_TITLE: ACETIC ACID AMYL 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$NAME: PENTYL ACETATE
CH$NAME: ACETIC ACID AMYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.0993799999999964711605571210384368896484375
CH$SMILES: CCCCCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
CH$LINK: COMPTOX DTXSID1027263
CH$LINK: INCHIKEY PGMYKACGEOXYJE-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$SPLASH: splash10-0006-9000000000-b1bec14ac5b42f1bc36d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 3.03 30
  27 5.36 54
  28 2.87 29
  29 7.76 78
  31 2.72 27
  39 3.73 37
  41 12.89 129
  42 29.11 291
  43 99.99 999
  44 2.87 29
  45 1.32 13
  55 22.2 222
  56 1.86 19
  57 2.33 23
  58 3.73 37
  61 19.02 190
  69 5.82 58
  70 31.06 311
  71 2.48 25
  73 11.57 116
  87 1.16 12
//