MassBank Record: JP002832



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

ACCESSION: JP002832
RECORD_TITLE: EREMOPHILENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: EREMOPHILENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(=C)C(C1)CC(C)(C(C)2)C(=CCC2)C1 CH$IUPAC: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15+/m0/s1
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-8900000000-2081ccdb77b81bd5479e PK$NUM_PEAK: 118 PK$PEAK: m/z int. rel.int. 26 1.1 11 27 20.5 205 28 1.5 15 29 2.47 25 30 0.5 5 37 0.5 5 38 0.8 8 39 3.13 31 40 7.7 77 41 86.5 865 42 7.2 72 43 1.86 19 50 1.3 13 51 8.1 81 52 4.5 45 53 3.21 32 54 3.7 37 55 51.5 515 56 3.1 31 57 0.43 4 58 1 10 59 0.5 5 62 0.5 5 63 0.03 0 64 2.2 22 65 19.5 195 66 9 90 67 3.85 39 68 11.3 113 69 26.3 263 70 2.5 25 71 0.18 2 72 0.8 8 73 1 10 74 0.8 8 75 0.02 0 76 1 10 77 44 440 78 12.2 122 79 9.55 96 80 16.7 167 81 56 560 82 8.1 81 83 0.06 1 84 0.8 8 85 0.6 6 87 0.8 8 88 0.01 0 89 2.1 21 90 1.5 15 91 91 910 92 2.72 27 93 95.5 955 94 30 300 95 50.5 505 96 0.86 9 97 11.3 113 98 1.1 11 102 1.2 12 103 0.56 6 104 4 40 105 82 820 106 26.7 267 107 99.99 999 108 57.7 577 109 22.6 226 110 2.7 27 111 0.08 1 115 7.2 72 116 3.5 35 117 10 100 118 0.72 7 119 86.5 865 120 26.3 263 121 43.5 435 122 0.19 2 123 11.3 113 124 1.3 13 127 1.8 18 128 0.35 4 129 3.2 32 130 1.7 17 131 6.8 68 132 0.28 3 133 56.5 565 134 28.1 281 135 44.5 445 136 1.08 11 137 1.1 11 141 1 10 142 0.6 6 143 0.01 0 144 0.6 6 145 5.5 55 146 2.7 27 147 4.26 43 148 17.2 172 149 6.7 67 150 1 10 159 0.13 1 160 2.7 27 161 95.5 955 162 25.3 253 163 0.67 7 164 0.8 8 173 0.5 5 174 0.5 5 175 1.05 11 176 5.7 57 177 1 10 187 0.5 5 189 0.42 4 190 7.2 72 191 0.5 5 203 1 10 204 5.31 53 205 9.5 95 206 0.8 8 //