MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002834
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002834
RECORD_TITLE: ALPHA-GUAIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: ALPHA-GUAIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24
CH$EXACT_MASS: 204.18780
CH$SMILES: CC(=C)C([H])(C1)CC(C([H])(C)2)=C(CC2)C([H])(C)C1
CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1
CH$LINK: INCHIKEY
ADIDQIZBYUABQK-RWMBFGLXSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0537-9800000000-cee1d5d289f18f7b57be
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 16 160
29 20.1 201
37 0.06 1
38 0.6 6
39 26.7 267
40 5.2 52
41 0.68 7
42 4.6 46
43 13.8 138
50 1.3 13
51 0.75 8
52 4.8 48
53 28 280
54 3.5 35
55 4.65 47
56 2.6 26
57 4 40
58 0.8 8
62 0.05 1
63 3 30
64 2 20
65 16 160
66 0.63 6
67 38.2 382
68 11.2 112
69 19.5 195
70 0.16 2
71 1.5 15
72 1 10
73 0.8 8
74 0.08 1
75 3.1 31
76 1.5 15
77 40.3 403
78 1.06 11
79 61.6 616
80 11.5 115
81 59.5 595
82 0.07 1
83 3.3 33
84 0.5 5
87 1 10
88 0.06 1
89 2.1 21
90 1.2 12
91 61 610
92 1.28 13
93 78.5 785
94 25.7 257
95 49 490
96 0.65 7
97 1.5 15
101 0.6 6
102 1.1 11
103 0.51 5
104 3.5 35
105 99.99 999
106 24 240
107 8.95 90
108 38.2 382
109 22.5 225
110 2.5 25
111 0.06 1
115 6.7 67
116 3.5 35
117 9.1 91
118 0.27 3
119 36 360
120 17.8 178
121 42.5 425
122 1.97 20
123 26.7 267
124 2.6 26
127 1.5 15
128 0.37 4
129 3.7 37
130 1.8 18
131 8.5 85
132 0.23 2
133 53.1 531
134 13.3 133
135 15.7 157
136 0.37 4
137 0.5 5
141 1 10
142 0.5 5
143 0.08 1
144 0.6 6
145 4.5 45
146 4.2 42
147 8.05 81
148 44.6 446
149 19.5 195
150 2.1 21
159 0.11 1
160 1 10
161 24.8 248
162 11.2 112
163 0.21 2
175 6.7 67
176 2.1 21
189 40.3 403
190 0.65 7
191 0.5 5
204 49 490
205 8.5 85
206 0.6 6
//