MassBank Record: JP002834



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

ACCESSION: JP002834
RECORD_TITLE: ALPHA-GUAIENE; 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$NAME: ALPHA-GUAIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(=C)C([H])(C1)CC(C([H])(C)2)=C(CC2)C([H])(C)C1 CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/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: splash10-0537-9800000000-cee1d5d289f18f7b57be PK$NUM_PEAK: 108 PK$PEAK: m/z int. rel.int. 26 1.1 11 27 16 160 29 20.1 201 37 0.06 1 38 0.6 6 39 26.7 267 40 5.2 52 41 0.68 7 42 4.6 46 43 13.8 138 50 1.3 13 51 0.75 8 52 4.8 48 53 28 280 54 3.5 35 55 4.65 47 56 2.6 26 57 4 40 58 0.8 8 62 0.05 1 63 3 30 64 2 20 65 16 160 66 0.63 6 67 38.2 382 68 11.2 112 69 19.5 195 70 0.16 2 71 1.5 15 72 1 10 73 0.8 8 74 0.08 1 75 3.1 31 76 1.5 15 77 40.3 403 78 1.06 11 79 61.6 616 80 11.5 115 81 59.5 595 82 0.07 1 83 3.3 33 84 0.5 5 87 1 10 88 0.06 1 89 2.1 21 90 1.2 12 91 61 610 92 1.28 13 93 78.5 785 94 25.7 257 95 49 490 96 0.65 7 97 1.5 15 101 0.6 6 102 1.1 11 103 0.51 5 104 3.5 35 105 99.99 999 106 24 240 107 8.95 90 108 38.2 382 109 22.5 225 110 2.5 25 111 0.06 1 115 6.7 67 116 3.5 35 117 9.1 91 118 0.27 3 119 36 360 120 17.8 178 121 42.5 425 122 1.97 20 123 26.7 267 124 2.6 26 127 1.5 15 128 0.37 4 129 3.7 37 130 1.8 18 131 8.5 85 132 0.23 2 133 53.1 531 134 13.3 133 135 15.7 157 136 0.37 4 137 0.5 5 141 1 10 142 0.5 5 143 0.08 1 144 0.6 6 145 4.5 45 146 4.2 42 147 8.05 81 148 44.6 446 149 19.5 195 150 2.1 21 159 0.11 1 160 1 10 161 24.8 248 162 11.2 112 163 0.21 2 175 6.7 67 176 2.1 21 189 40.3 403 190 0.65 7 191 0.5 5 204 49 490 205 8.5 85 206 0.6 6 //