MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010683
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010683
RECORD_TITLE: BETA-CARYOPHYLLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-CARYOPHYLLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: [H]C(C2)=C(C)CCC([H])(C(C)(C)1)C([H])(C(=C)C2)C1
CH$IUPAC: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
CH$LINK: INCHIKEY
NPNUFJAVOOONJE-FLFDDASRSA-N
AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9400000000-cc1cb468f4f5a1307735
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
41 99.99 999
42 10 100
43 30 300
44 0.8 8
45 4.5 45
50 4 40
51 11.5 115
52 0.9 9
53 34 340
54 7.5 75
55 48 480
56 0.95 10
57 11 110
63 6 60
65 16 160
66 0.8 8
67 35 350
68 18.5 185
69 63 630
70 0.75 8
77 32.5 325
78 13 130
79 49 490
80 1.7 17
81 41 410
82 16 160
83 9 90
91 4.4 44
92 20.5 205
93 69.5 695
94 52 520
95 2.45 25
96 8 80
97 5.5 55
103 5 50
104 0.5 5
105 35.5 355
106 22 220
107 34 340
108 1.4 14
109 19 190
110 8 80
111 6 60
115 0.5 5
117 8 80
118 5 50
119 24 240
120 2.9 29
121 24 240
122 11 110
123 12.5 125
131 0.7 7
132 5 50
133 40 400
134 14 140
135 1.3 13
136 9 90
137 6 60
138 6 60
147 1.7 17
148 16.5 165
149 9 90
150 4 40
161 2.7 27
162 9 90
163 6 60
164 4 40
175 0.7 7
176 6 60
177 5 50
189 11 110
190 0.3 3
204 14 140
205 5 50
//