MassBank Record: JP002591



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

ACCESSION: JP002591
RECORD_TITLE: ALPHA-IONONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-IONONE CH$NAME: 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$IUPAC: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
AC$INSTRUMENT: HITACHI RMU-6M 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: splash10-0006-9600000000-f52514927b7c7e5bd79a PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 15 3.29 33 27 10.41 104 28 5.13 51 29 7.13 71 39 15.21 152 40 2.66 27 41 27.15 272 42 1.18 12 43 71.48 715 44 1.44 14 45 1.88 19 51 5.02 50 52 2.1 21 53 9.86 99 54 1.18 12 55 7.79 78 56 1.33 13 57 1.29 13 63 1.66 17 65 7.31 73 66 1.81 18 67 6.17 62 68 1.11 11 69 5.39 54 71 2.25 23 77 23.16 232 78 23.16 232 79 9.86 99 80 2.22 22 81 7.39 74 82 1.62 16 83 1.18 12 91 24.16 242 92 14.84 148 93 86.8 868 94 9.79 98 95 4.62 46 96 1.44 14 103 1.92 19 105 4.99 50 106 2.51 25 107 9.45 95 108 3.91 39 110 2.25 23 111 1.22 12 112 2.51 25 115 1.66 17 117 1.96 20 119 6.31 63 120 1.11 11 121 99.99 999 122 10.71 107 123 2.07 21 124 1.07 11 131 1.51 15 133 2.1 21 134 4.06 41 135 6.54 65 136 74.47 745 137 13.18 132 138 1.22 12 149 6.35 64 150 1.18 12 159 2.55 26 177 11.74 117 178 1.55 16 192 26.28 263 193 3.8 38 //