MassBank Record: JP002836



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

ACCESSION: JP002836
RECORD_TITLE: ALPHA-GURJUNENE; 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$NAME: ALPHA-GURJUNENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C3)=C(C([H])(C3)2)C([H])(C(C)(C)1)C([H])(CCC([H])(C)2)1 CH$IUPAC: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1 CH$LINK: INCHIKEY SPCXZDDGSGTVAW-XIDUGBJDSA-N
AC$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$SPLASH: splash10-0mif-7920000000-0ff216c251a59b634e17 PK$NUM_PEAK: 118 PK$PEAK: m/z int. rel.int. 26 1.2 12 27 16.6 166 29 20 200 31 0.12 1 37 0.5 5 38 0.5 5 39 23.1 231 40 0.04 0 41 71.7 717 42 5 50 43 20.5 205 44 0.05 1 50 1.1 11 51 7 70 52 3.2 32 53 2.11 21 54 2.5 25 55 47.2 472 56 3.2 32 57 0.61 6 58 1.1 11 59 1 10 62 0.5 5 63 0.03 0 64 0.21 2 65 14.8 148 66 4 40 67 26.2 262 68 0.23 2 69 23.5 235 70 2 20 71 2 20 72 0.08 1 74 1 10 75 2.1 21 76 1 10 77 0.35 4 78 10 100 79 35 350 80 7 70 81 3.85 39 82 4.1 41 83 5.3 53 84 0.8 8 85 0.06 1 88 0.8 8 89 2 20 90 1.1 11 91 6.77 68 92 10 100 93 40.2 402 94 8.3 83 95 2.32 23 96 3.1 31 97 1.2 12 101 0.8 8 102 1.5 15 103 6.8 68 104 4 40 105 8.75 88 106 15.5 155 107 40.2 402 108 9.2 92 109 1.78 18 110 2.5 25 111 0.5 5 115 9.6 96 116 0.48 5 117 13.5 135 118 3.6 36 119 68.2 682 120 1.35 14 121 20.1 201 122 10.3 103 123 3.6 36 124 0.08 1 126 0.5 5 127 3.5 35 128 6.1 61 129 0.57 6 130 3.1 31 131 12 120 132 4 40 133 4.72 47 134 9.2 92 135 7 70 136 1.8 18 141 0.13 1 142 1 10 143 1.5 15 144 1.2 12 145 0.76 8 146 3.6 36 147 36.7 367 148 14.6 146 149 1.31 13 150 2 20 151 0.5 5 157 0.5 5 158 0.05 1 159 2.8 28 160 3.5 35 161 94.6 946 162 1.55 16 163 2.2 22 173 0.8 8 174 1 10 175 1.11 11 176 3 30 177 1 10 189 78.7 787 190 1.22 12 191 1 10 202 0.8 8 203 2.5 25 204 99.99 999 205 17.5 175 206 1.5 15 //