MassBank Record: JP006937



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

ACCESSION: JP006937
RECORD_TITLE: ELEMOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ELEMOL CH$NAME: 4-ETHENYL-3-(1-METHYLETHENYL)-ALPHA,ALPHA,4-TRIMETHYLCYCLOHEXYLMETHANOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H26O CH$EXACT_MASS: 222.19837 CH$SMILES: C=CC(C)(C1)C([H])(C(C)=C)CC([H])(C1)C(C)(C)O CH$IUPAC: InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1 CH$LINK: INCHIKEY GFJIQNADMLPFOW-VNHYZAJKSA-N CH$LINK: COMPTOX DTXSID1052323
AC$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: splash10-052f-9400000000-2a2b8eb2d7a95cb7b5c3 PK$NUM_PEAK: 74 PK$PEAK: m/z int. rel.int. 27 8.3 83 29 10.79 108 31 10.8 108 39 14.32 143 40 3.23 32 41 40.27 403 42 3.12 31 43 39.02 390 44 1.04 10 45 2.31 23 51 2 20 52 1.55 16 53 18.15 182 54 2.19 22 55 23.54 235 56 1.67 17 57 3.69 37 59 99.99 999 60 2.8 28 65 5.53 55 66 2.51 25 67 27.36 274 68 20.53 205 69 20.62 206 70 2.62 26 71 17.51 175 72 1.32 13 77 12.51 125 78 2.71 27 79 23.83 238 80 13.83 138 81 31.96 320 82 10.77 108 83 6.16 62 84 3.92 39 85 1.65 17 91 15.4 154 92 9.01 90 93 55.55 556 94 16.89 169 95 22.41 224 96 7.73 77 97 1.72 17 105 14.22 142 106 3.33 33 107 31.38 314 108 12.65 127 109 14.54 145 110 2.13 21 111 1.1 11 119 13.4 134 120 3.86 39 121 26.72 267 122 7.62 76 123 9.99 100 124 1.51 15 133 8.7 87 134 4.92 49 135 21.71 217 136 8.53 85 137 2.13 21 147 7.42 74 148 3.28 33 149 10.83 108 150 1.25 13 161 35.88 359 162 9.26 93 163 10.01 100 164 3.97 40 175 1.86 19 189 13.6 136 190 1.81 18 204 9.59 96 205 1.46 15 //

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