MassBank Record: JP002835



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

ACCESSION: JP002835
RECORD_TITLE: DELTA-GUAIENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DELTA-GUAIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(=C)C([H])(C2)CC([H])(C1=C(C)C2)C([H])(C)CC1 CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1 CH$LINK: INCHIKEY YHAJBLWYOIUHHM-GUTXKFCHSA-N
AC$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$SPLASH: splash10-0a4i-7900000000-26a5823d6eaa0e77fe2b PK$NUM_PEAK: 111 PK$PEAK: m/z int. rel.int. 26 1 10 27 15.8 158 29 20.7 207 37 0.05 1 38 0.8 8 39 25.3 253 40 5.6 56 41 6.35 64 42 4.5 45 43 15.5 155 50 1.5 15 51 0.06 1 52 4.1 41 53 27 270 54 3.2 32 55 4.71 47 56 2.3 23 57 3.3 33 58 0.5 5 59 0.08 1 63 2.5 25 64 1.7 17 65 14.6 146 66 0.06 1 67 34.1 341 68 10 100 69 17.7 177 70 0.15 2 71 1 10 72 0.8 8 73 0.5 5 74 0.06 1 75 2.1 21 76 1.1 11 77 36 360 78 0.96 10 79 64 640 80 14.5 145 81 58.2 582 82 0.75 8 83 2.8 28 84 0.8 8 85 0.8 8 87 0.01 0 88 0.8 8 89 2 20 90 1.2 12 91 5.51 55 92 12 120 93 97.1 971 94 26 260 95 0.5 5 96 7.1 71 97 2 20 102 1 10 103 0.43 4 104 2.7 27 105 56.5 565 106 23.3 233 107 99.99 999 108 91.5 915 109 31.5 315 110 3 30 111 0.01 0 115 4.6 46 116 2.3 23 117 6.6 66 118 0.02 0 119 32.7 327 120 13 130 121 35.7 357 122 1.21 12 123 11.6 116 124 1.3 13 125 0.8 8 127 0.01 0 128 2.3 23 129 2.1 21 130 1.2 12 131 0.05 1 132 1.7 17 133 31.1 311 134 13.8 138 135 4.71 47 136 9.6 96 137 1 10 141 0.5 5 142 0.05 1 143 0.6 6 144 0.5 5 145 3 30 146 0.17 2 147 33.5 335 148 29.7 297 149 8.2 82 150 0.08 1 159 1.1 11 160 0.8 8 161 18.8 188 162 0.55 6 163 1.2 12 175 4.1 41 176 1.3 13 188 0.05 1 189 38.8 388 190 5.7 57 191 0.5 5 202 0.06 1 204 25.7 257 205 4.5 45 206 0.5 5 //