MassBank Record: JP001548



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

ACCESSION: JP001548
RECORD_TITLE: CYCLODODECANONE; 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$NAME: CYCLODODECANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O CH$EXACT_MASS: 182.16707 CH$SMILES: O=C(C1)CCCCCCCCCC1 CH$IUPAC: InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
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$SPLASH: splash10-0a4l-9100000000-9ec8a117768df777e2ed PK$NUM_PEAK: 78 PK$PEAK: m/z int. rel.int. 15 1.01 10 26 1.44 14 27 30.05 301 28 13.79 138 29 37.02 370 30 1.13 11 31 1.55 16 39 26.14 261 40 6.02 60 41 99.99 999 42 31.7 317 43 1.72 17 44 1.39 14 51 1.29 13 52 1.01 10 53 9.94 99 54 14.34 143 55 84.13 841 56 30.21 302 57 14.87 149 58 73.17 732 59 23.25 233 60 1.08 11 65 1.89 19 66 2.62 26 67 20.35 204 68 19.02 190 69 34.05 341 70 19.49 195 71 68.48 685 72 7.3 73 77 1.68 17 78 1.58 16 79 7.84 78 80 8.17 82 81 19.41 194 82 33.65 337 83 28.25 283 84 23.48 235 85 8.55 86 86 3.06 31 91 1.01 10 93 7.09 71 94 6.02 60 95 11.67 117 96 15.49 155 97 24.57 246 98 45.86 459 99 7.16 72 100 4.86 49 107 5.13 51 108 5.77 58 109 4.45 45 110 3.02 30 111 31.54 315 112 11.71 117 113 2.97 30 114 4.53 45 121 5.23 52 122 10.24 102 123 2.97 30 124 15.68 157 125 19.33 193 126 6.42 64 127 2.82 28 135 6.18 62 136 1.44 14 138 1.15 12 139 12.02 120 140 2.57 26 141 1.06 11 149 2.45 25 153 2.12 21 154 1.86 19 165 2.13 21 167 2.12 21 182 31.07 311 183 4.65 47 //