MassBank Record: JP001301

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ACETIC ACID PROPYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP001301
RECORD_TITLE: ACETIC ACID PROPYL 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$NAME: PROPYL ACETATE
CH$NAME: ACETIC ACID PROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O2
CH$EXACT_MASS: 102.0680799999999948113327263854444026947021484375
CH$SMILES: CCCOC(C)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
CH$LINK: COMPTOX DTXSID6021901
CH$LINK: INCHIKEY YKYONYBAUNKHLG-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$SPLASH: splash10-0006-9000000000-d3ec8dd755a3715c491e
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  15 3.88 39
  27 5.09 51
  28 1.53 15
  29 1.64 16
  31 3.88 39
  39 2.24 22
  41 6.84 68
  42 9.3 93
  43 99.99 999
  44 2.3 23
  57 1.15 12
  59 4.76 48
  61 27.3 273
  72 1.42 14
  73 13.13 131
//