MassBank Record: JP008613

Home Search Record Index

ANISYLACETONE; EI-B; MS

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

ACCESSION: JP008613
RECORD_TITLE: ANISYLACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ANISYLACETONE
CH$NAME: 4-(4-METHOXYPHENYL)-2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.0993799999999964711605571210384368896484375
CH$SMILES: COc(c1)ccc(CCC(C)=O)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
CH$LINK: COMPTOX DTXSID5047166
CH$LINK: INCHIKEY PCBSXBYCASFXTM-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00di-5900000000-47c1f7655edcdfde74c6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 3.11 31
  27 2.34 23
  39 4.36 44
  41 1.79 18
  42 1.41 14
  43 28.19 282
  50 1.69 17
  51 4.09 41
  52 2.29 23
  53 1.23 12
  55 2.34 23
  63 3 30
  64 1.8 18
  65 5.07 51
  77 8.04 80
  78 5.95 60
  79 2.68 27
  89 1.96 20
  90 1.17 12
  91 8.85 89
  92 2.37 24
  103 2.63 26
  105 3.13 31
  108 8.12 81
  119 1.65 17
  120 1.64 16
  121 99.99 999
  122 7.33 73
  134 1.4 14
  135 5.93 59
  163 2.6 26
  178 28.34 283
  179 2.98 30
//