MassBank Record: JP007557



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

ACCESSION: JP007557
RECORD_TITLE: ALPHA-IONONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAKEUCHI TDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-IONONE CH$NAME: (R-(E))-4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H20O CH$EXACT_MASS: 192.15142 CH$SMILES: CC(=O)C([H])=C([H])C([H])(C(C)=1)C(C)(C)CCC([H])1 CH$IUPAC: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1 CH$LINK: CAS 24190-29-2 CH$LINK: INCHIKEY UZFLPKAIBPNNCA-GUOLPTJISA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0076-6900000000-0d604eb8b56437636516 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 41 3.44 34 43 42.18 422 55 7.4 74 57 5.76 58 69 9.85 99 70 4.61 46 77 9.68 97 79 10.57 106 92 13.44 134 93 93.05 931 108 16.36 164 109 26.01 260 121 99.99 999 122 11.14 111 136 88.07 881 137 16.09 161 149 5.49 55 177 7.74 77 192 17.73 177 193 2.53 25 //