MassBank Record: JP002850



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

ACCESSION: JP002850
RECORD_TITLE: ISO-LONGIFOLENE; 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$NAME: ISO-LONGIFOLENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C)(C3)C(C2)(C1)C(=CC3)C(C)(C)C([H])(C2)1 CH$IUPAC: InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,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: splash10-0imr-4900000000-ae89f064f2cdd8efb22c PK$NUM_PEAK: 132 PK$PEAK: m/z int. rel.int. 38 1.7 17 39 41.7 417 40 6.5 65 41 7.47 75 42 5.1 51 43 16.2 162 44 0.5 5 50 0.21 2 51 11 110 52 4.8 48 53 21.1 211 54 0.25 3 55 25.7 257 56 4.1 41 57 3 30 58 0.08 1 62 0.8 8 63 4.6 46 64 2.8 28 65 1.38 14 66 3.6 36 67 14.2 142 68 1.7 17 69 0.16 2 70 1.6 16 71 2.3 23 72 1.3 13 73 0.04 0 74 0.5 5 75 1 10 76 1.2 12 77 2.53 25 78 7.3 73 79 20.6 206 80 4.3 43 81 1.17 12 82 2.6 26 83 3.3 33 84 0.5 5 85 0.05 1 87 0.5 5 89 1.7 17 90 0.8 8 91 3.95 40 92 8.2 82 93 22.1 221 94 9.8 98 95 1.33 13 96 2.2 22 97 1 10 98 0.2 2 101 0.05 1 102 1.5 15 103 4.8 48 104 3.5 35 105 4.33 43 106 9.8 98 107 21.1 211 108 7.2 72 109 0.72 7 110 1.2 12 111 0.6 6 112 0.4 4 115 0.1 1 116 4.5 45 117 10.3 103 118 3.2 32 119 3.83 38 120 11.7 117 121 13 130 122 4.7 47 123 0.32 3 124 0.5 5 126 0.5 5 127 2.5 25 128 0.75 8 129 7 70 130 3.7 37 131 11 110 132 0.43 4 133 41.7 417 134 10 100 135 9.1 91 136 0.35 4 137 1.5 15 138 0.2 2 139 0.5 5 140 0.04 0 141 2.1 21 142 2.1 21 143 4 40 144 0.25 3 145 14.5 145 146 3.7 37 147 17.1 171 148 4.26 43 149 8.2 82 150 1.1 11 151 0.4 4 152 0.05 1 153 0.5 5 155 0.8 8 156 0.5 5 157 0.02 0 158 1.2 12 159 15.8 158 160 5.7 57 161 99.99 999 162 14.5 145 163 2 20 164 0.6 6 173 0.15 2 174 1 10 175 61.5 615 176 10.5 105 177 0.13 1 183 0.6 6 185 0.8 8 187 12.1 121 188 0.21 2 189 31 310 190 5 50 191 0.5 5 192 0.01 0 198 0.2 2 200 0.5 5 201 0.5 5 202 0.05 1 203 1.5 15 204 31.6 316 205 5.3 53 218 0.8 8 //