MassBank Record: JP001307

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ACETIC ACID ISOPENTYL ESTER; EI-B; MS

Mass Spectrum
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ACCESSION: JP001307
RECORD_TITLE: ACETIC ACID ISOPENTYL 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$NAME: ISOPENTYL ACETATE
CH$NAME: ACETIC ACID ISOPENTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.0993799999999964711605571210384368896484375
CH$SMILES: CC(C)CCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
CH$LINK: COMPTOX DTXSID9025453
CH$LINK: INCHIKEY MLFHJEHSLIIPHL-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$SPLASH: splash10-0006-9000000000-712ec54497a1b720e6f4
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 3.57 36
  27 5.19 52
  28 2.34 23
  29 6.16 62
  39 4.41 44
  41 11.36 114
  42 12.01 120
  43 99.99 999
  44 2.53 25
  45 1.75 18
  55 33.42 334
  56 4.54 45
  57 2.99 30
  58 1.62 16
  61 9.67 97
  69 3.96 40
  70 43.87 439
  71 3.37 34
  72 1.62 16
  73 10.84 108
  74 1.75 18
  85 1 10
  87 6.04 60
  88 1.17 12
//