MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007124
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007124
RECORD_TITLE: CARYOPHYLLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CARYOPHYLLENE
CH$NAME: 4,11,11-TRIMETHYL-8-METHYLENEBICYCLO(7.2.0)UNDEC-4-ENE
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9400000000-17580c580b9bac158421
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
27 21.54 215
29 18.01 180
39 34.51 345
40 7.34 73
41 99.99 999
42 4.65 47
43 10.09 101
50 1.14 11
51 6.04 60
52 5.35 54
53 31.14 311
54 3.54 35
55 35.4 354
56 7.04 70
57 5.38 54
63 1.81 18
65 14.68 147
66 4.77 48
67 34.46 345
68 7.9 79
69 76 760
70 3.86 39
71 2.23 22
77 33.32 333
78 7.58 76
79 57.17 572
80 15.34 153
81 34.03 340
82 7.88 79
83 2.66 27
91 56.57 566
92 19.01 190
93 79 790
94 17.12 171
95 16.54 165
96 1.85 19
103 2.55 26
104 1.81 18
105 37.53 375
106 24.28 243
107 33.09 331
108 6.9 69
109 15.56 156
110 1.97 20
111 2.33 23
115 2.5 25
116 1.15 12
117 3.49 35
118 1.11 11
119 24.45 245
120 30.45 305
121 20.59 206
122 4.94 49
123 4 40
131 1.83 18
133 58.25 583
134 16.4 164
135 10.14 101
136 4.2 42
137 1.51 15
147 19.59 196
148 20.98 210
149 4.59 46
161 19.37 194
162 4.65 47
163 1.81 18
175 5.3 53
176 3.47 35
189 12.12 121
190 1.35 14
204 7.43 74
205 1.14 11
//