MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007125
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007125
RECORD_TITLE: ALPHA-CEDRENE; 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$NAME: ALPHA-CEDRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C3)C(C1)C(C)(C)C(C2)C(C3)(C(C)C2)1
CH$IUPAC: InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3
CH$LINK: CAS
469-61-4
CH$LINK: INCHIKEY
IRAQOCYXUMOFCW-UHFFFAOYSA-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$SPLASH: splash10-014l-9800000000-ad1af0c9dd1f9349ef88
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
27 5.46 55
29 5.55 56
39 7.78 78
41 26.47 265
42 3.13 31
43 5.31 53
51 2.07 21
53 7.64 76
55 14.72 147
56 11.02 110
57 3.57 36
65 4.65 47
66 1.11 11
67 5.97 60
68 2.41 24
69 18.39 184
70 5 50
77 15.08 151
78 3.25 33
79 10.17 102
80 2.56 26
81 7.91 79
82 2.26 23
83 1.26 13
84 1.09 11
91 20.02 200
92 14.06 141
93 45 450
94 6.93 69
95 3.7 37
103 1.63 16
105 29.69 297
106 4.45 45
107 5.9 59
108 3.92 39
109 4.93 49
115 1.81 18
117 2.93 29
118 1.69 17
119 99.99 999
120 14.64 146
121 13.79 138
122 3.65 37
123 1.86 19
128 1.09 11
131 1.57 16
133 4.97 50
134 3.58 36
135 2.74 27
136 7.42 74
146 1.11 11
147 9.09 91
148 4.67 47
149 1.07 11
161 17.41 174
162 3.45 35
189 3.62 36
204 20.4 204
205 3.64 36
//