MassBank Record: JP007149



 VALEROPHENONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP007149
RECORD_TITLE: VALEROPHENONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: VALEROPHENONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O CH$EXACT_MASS: 162.10447 CH$SMILES: CCCCC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 CH$LINK: CAS 1009-14-9 CH$LINK: INCHIKEY XKGLSKVNOSHTAD-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$SPLASH: splash10-0a6r-6900000000-19cf24e12d8e892de5bf PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 27 7.17 72 29 6.3 63 39 3.84 38 41 3.38 34 50 4.66 47 51 18.19 182 52 1.3 13 55 2.21 22 57 1.1 11 74 1.09 11 76 1.98 20 77 52.11 521 78 7.5 75 91 1.48 15 105 99.99 999 106 7.7 77 120 43 430 121 3.08 31 133 2.21 22 162 5.45 55 //