MassBank Record: JP001311

Home Search Record Index

ACETIC ACID PHENYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP001311
RECORD_TITLE: ACETIC ACID PHENYL 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$NAME: PHENYL ACETATE
CH$NAME: ACETIC ACID PHENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.052429999999986875991453416645526885986328125
CH$SMILES: CC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: COMPTOX DTXSID3051626
CH$LINK: INCHIKEY IPBVNPXQWQGGJP-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$SPLASH: splash10-0006-9000000000-0b59e893a4f5460e26bb
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 3.34 33
  28 1.48 15
  38 2.31 23
  39 10.15 102
  40 2.25 23
  43 28.47 285
  50 1.86 19
  51 3.08 31
  55 1.74 17
  63 2.31 23
  65 7.71 77
  66 11.31 113
  77 2.25 23
  93 1 10
  94 99.99 999
  95 6.49 65
  136 10.93 109
  137 1 10
//