MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010688
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010688
RECORD_TITLE: CALAMENENE; 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$NAME: CALAMENENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22
CH$EXACT_MASS: 202.17215
CH$SMILES: Cc(c2)cc(c(c2)1)C([H])(C(C)C)CCC([H])(C)1
CH$IUPAC: InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1
CH$LINK: INCHIKEY
PGTJIOWQJWHTJJ-STQMWFEESA-N
CH$LINK: COMPTOX
DTXSID40880702
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$SPLASH: splash10-053r-2900000000-04f69771dc2275c05168
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
41 23 230
42 2 20
43 11 110
44 1 10
51 4 40
53 7 70
55 12 120
56 0.3 3
57 4 40
63 3 30
65 8 80
68 0.7 7
69 8 80
71 2 20
77 11 110
78 0.4 4
79 7 70
81 5 50
82 1 10
83 0.7 7
91 22 220
92 6 60
93 7 70
95 0.5 5
103 4 40
104 4 40
105 30 300
106 0.5 5
107 4 40
109 3 30
115 22 220
116 0.8 8
117 19 190
118 6 60
119 33 330
120 1.1 11
121 3 30
127 7 70
128 24 240
129 2.3 23
130 9 90
131 51 510
132 99.99 999
133 1.8 18
141 10 100
142 7 70
143 14 140
144 1.4 14
145 36 360
146 10 100
147 3 30
149 0.3 3
157 4 40
158 5 50
159 98 980
160 2.9 29
161 7 70
187 7 70
188 1 10
202 5.7 57
203 10 100
204 3 30
//