MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002846
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002846
RECORD_TITLE: BETA-SANTALENE; 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$NAME: BETA-SANTALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(C)=CCCC(C)(C(=C)1)C(C2)CC(C2)1
CH$IUPAC: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
CH$LINK: INCHIKEY
PGBNIHXXFQBCPU-ILXRZTDVSA-N
CH$LINK: COMPTOX
DTXSID60883412
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: splash10-0006-9200000000-ab8503587dedec620722
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
27 5 50
28 1.1 11
29 4 40
39 0.68 7
40 1.2 12
41 28.1 281
42 1.1 11
43 0.38 4
51 1.5 15
52 1 10
53 5.6 56
54 0.06 1
55 18.5 185
56 1 10
63 0.5 5
65 0.31 3
66 1.5 15
67 10.7 107
68 1.5 15
69 0.09 1
70 0.6 6
75 0.5 5
77 10.6 106
78 0.25 3
79 19.1 191
80 1.8 18
81 4.7 47
82 0.05 1
83 7.1 71
84 0.6 6
91 11 110
92 0.31 3
93 22.5 225
94 99.99 999
95 10 100
96 0.05 1
103 0.5 5
105 4.7 47
106 2.6 26
107 0.51 5
108 0.8 8
109 0.6 6
117 0.5 5
119 0.26 3
120 2 20
121 9.6 96
122 33.3 333
123 0.37 4
133 2 20
134 1.1 11
135 1.6 16
136 0.08 1
137 0.8 8
147 1.3 13
148 0.6 6
161 0.26 3
162 0.5 5
176 0.5 5
189 0.8 8
204 0.8 8
//
system version 2.2.8-SNAPSHOT