MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010684
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010684
RECORD_TITLE: CARYOPHYLLA-3(12),7(13)-DIEN-6-OL; 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$NAME: CARYOPHYLLA-3(12),7(13)-DIEN-6-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24O
CH$EXACT_MASS: 220.18272
CH$SMILES: C=C(C2)C([H])(O)CCC(=C)C([H])(C1)C([H])(C2)C(C)(C)1
CH$IUPAC: InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13+,14+/m1/s1
CH$LINK: INCHIKEY
CIIYOYPOMGIECX-RDBSUJKOSA-N
AC$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: splash10-00ko-9600000000-2670d9c064fa7b2dd6b0
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
41 73 730
42 13 130
43 27 270
44 0.3 3
45 5 50
50 3 30
51 11 110
52 0.8 8
53 40 400
54 8 80
55 46 460
56 1.05 11
57 8 80
58 10 100
59 4 40
63 0.45 5
65 19.5 195
66 9 90
67 44.5 445
68 1 10
69 63 630
70 9 90
71 11 110
77 3.5 35
78 13 130
79 58 580
80 14 140
81 3.75 38
82 19 190
83 11.5 115
84 4 40
85 0.4 4
91 53 530
92 17 170
93 43.5 435
94 1.45 15
95 28 280
96 10 100
97 6 60
103 0.4 4
104 6.5 65
105 34 340
106 12 120
107 3 30
108 12 120
109 27 270
110 8 80
111 0.45 5
115 4 40
116 4 40
117 21.5 215
118 3.1 31
119 26 260
120 15 150
121 19.5 195
122 1 10
123 13 130
124 5.5 55
125 3.5 35
131 2.25 23
132 8 80
133 20.5 205
134 10.5 105
135 1.95 20
136 99.99 999
137 17.5 175
138 4.5 45
145 1 10
146 13 130
147 12 120
148 4 40
149 1 10
150 5 50
151 5 50
159 15 150
160 0.5 5
161 8 80
162 4 40
163 6 60
164 1 10
165 5 50
174 4 40
175 4 40
176 0.3 3
177 6 60
187 8 80
202 6 60
203 0.5 5
220 3 30
//