#In-silico MS/MS By CFM-ID Version 4.0.0
#POSITIVE ESI IONIZATION [M+H]+
energy0
55.05422664 1.237499244 12 (1.2375)
67.05422664 0.7738634885 17 (0.77386)
69.06987671 1.272831984 19 (1.2728)
79.05422664 3.245487271 31 (3.2455)
81.06987671 2.140454693 34 (2.1405)
89.05970595 0.8282742081 117 (0.82827)
93.06987671 2.645655417 39 (2.6457)
95.08552677 2.116055405 24 (2.1161)
107.0855268 1.426347558 16 (1.4263)
109.1011768 1.51969377 40 (1.5197)
121.1011768 1.4131506 41 (1.4132)
131.0855268 1.442909734 92 (1.4429)
133.1011768 2.244276851 28 (2.2443)
135.1168269 1.880570758 43 (1.8806)
137.132477 1.132129638 44 (1.1321)
145.1011768 0.7599128758 102 (0.75991)
147.1168269 1.164464342 30 (1.1645)
149.132477 1.518762626 93 (1.5188)
153.0910061 0.7249231936 64 (0.72492)
163.148127 1.283674677 103 (1.2837)
173.132477 1.547934586 150 (1.5479)
183.1379563 0.7987938771 38 (0.79879)
187.148127 1.509351581 151 (1.5094)
189.1637771 0.7382173331 121 (0.73822)
195.1379563 0.82590275 26 (0.8259)
197.1536063 1.180221167 23 (1.1802)
219.2107273 0.746785555 134 (0.74679)
243.2107273 3.63427151 153 (3.6343)
261.221292 13.99731338 137 (13.997)
279.2318567 17.03317575 0 (17.033)
energy1
55.05422664 3.155608158 12 (3.1556)
63.02292652 1.37900343 49 (1.379)
67.05422664 4.119540973 17 (4.1195)
69.06987671 3.10716701 19 (3.1072)
71.04914126 0.8971822874 118 (0.89718)
77.03857658 0.8487061219 33 (0.84871)
79.05422664 2.598081521 31 (2.5981)
81.06987671 6.949470192 34 (6.9495)
83.08552677 1.183889737 35 (1.1839)
91.05422664 2.170456716 47 (2.1705)
93.06987671 6.327693863 39 (6.3277)
95.08552677 7.545294036 24 (7.5453)
105.0698767 1.607497914 55 (1.6075)
107.0855268 5.816580447 16 (5.8166)
109.1011768 1.931861046 40 (1.9319)
117.0698767 1.008785611 70 (1.0088)
119.0855268 2.632966621 27 (2.633)
121.1011768 1.714985291 41 (1.715)
131.0855268 2.761566329 92 (2.7616)
133.1011768 3.880773274 28 (3.8808)
135.1168269 2.001749534 43 (2.0017)
145.1011768 1.631159143 102 (1.6312)
147.1168269 1.237489965 30 (1.2375)
161.132477 0.8920265397 101 (0.89203)
163.148127 1.040675133 103 (1.0407)
175.148127 0.9642697062 113 (0.96427)
189.1637771 1.020993927 121 (1.021)
243.2107273 0.9918497692 153 (0.99185)
261.221292 2.480725722 137 (2.4807)
279.2318567 1.438319485 0 (1.4383)
energy2
41.03857658 2.665287353 7 (2.6653)
55.05422664 6.236569022 12 (6.2366)
65.03857658 1.231752992 48 (1.2318)
67.05422664 9.626563143 17 (9.6266)
69.06987671 2.214058273 19 (2.2141)
77.03857658 3.172346278 33 (3.1723)
79.05422664 8.234460819 31 (8.2345)
81.06987671 12.61736723 34 (12.617)
89.03857658 0.9992591162 68 (0.99926)
91.05422664 5.813853249 47 (5.8139)
93.06987671 10.63818903 39 (10.638)
95.08552677 5.832538952 24 (5.8325)
103.0542266 1.907712825 67 (1.9077)
105.0698767 2.793363968 55 (2.7934)
107.0855268 3.326270204 16 (3.3263)
117.0698767 0.7790240711 70 (0.77902)
119.0855268 1.452528856 27 (1.4525)
133.1011768 0.9568442597 28 (0.95684)

0 279.2318567 CCC=CCC=CCC=CCCCCCCCC(=O)[OH2+]
1 263.2005565 C#CC#CC=CCCCCCCCCCCC(O)[OH2+]
2 249.1849065 C#CC#CC=CCCCCCCCCCC(O)[OH2+]
3 239.2005565 C#CC=CCCCCCCCCCCC(O)[OH2+]
4 237.1849065 C#CC#CCCCCCCCCCCC(O)[OH2+]
5 235.1692564 C#CC#CC=CCCCCCCCCC(O)[OH2+]
6 43.05422664 CC=[CH3+]
7 41.03857658 [CH2+]#CC
8 225.1849065 C#CC=CCCCCCCCCCC(O)[OH2+]
9 223.1692564 C#CC#CCCCCCCCCCC(O)[OH2+]
10 221.1536063 C#CC#CC=CCCCCCCCC(O)[OH2+]
11 57.06987671 CCC=[CH3+]
12 55.05422664 [CH2+]#CCC
13 211.1692564 C#CC=CCCCCCCCCC(O)[OH2+]
14 209.1536063 C#CC#CCCCCCCCCC(O)[OH2+]
15 207.1379563 C#CC#CC=CCCCCCCC(O)[OH2+]
16 107.0855268 [CH2+]#CC#CCCCC
17 67.05422664 [CH2+]#CC=CC
18 39.02292652 [C+]#CC
19 69.06987671 [CH2+]#CCCC
20 71.08552677 CCCC=[CH3+]
21 201.1849065 C=CCCCCCCCCCC(O)[OH2+]
22 199.1692564 C#CCCCCCCCCCC(O)[OH2+]
23 197.1536063 C#CC=CCCCCCCCC(O)[OH2+]
24 95.08552677 [CH2+]#CC=CCCC
25 97.10117684 [CH2+]#CCCCCC
26 195.1379563 C#CC#CCCCCCCCC(O)[OH2+]
27 119.0855268 [CH2+]#CC#CC=CCCC
28 133.1011768 [CH2+]#CC#CC=CCCCC
29 193.1223062 C#CC#CC=CCCCCCC(O)[OH2+]
30 147.1168269 [CH2+]#CC#CC=CCCCCC
31 79.05422664 [CH2+]#CC#CCC
32 53.03857658 C=CC#[CH2+]
33 77.03857658 C=CC#CC#[CH2+]
34 81.06987671 [CH2+]#CC=CCC
35 83.08552677 [CH2+]#CCCCC
36 85.10117684 CCCCC=[CH3+]
37 185.1536063 C#CCCCCCCCCC(O)[OH2+]
38 183.1379563 C#CC=CCCCCCCC(O)[OH2+]
39 93.06987671 [CH2+]#CC#CCCC
40 109.1011768 [CH2+]#CC=CCCCC
41 121.1011768 [CH2+]#CC#CCCCCC
42 123.1168269 [CH2+]#CC=CCCCCC
43 135.1168269 [CH2+]#CC#CCCCCCC
44 137.132477 [CH2+]#CC=CCCCCCC
45 181.1223062 C#CC#CCCCCCCC(O)[OH2+]
46 179.1066561 C#CC#CC=CCCCCC(O)[OH2+]
47 91.05422664 [CH2+]#CC#CC=CC
48 65.03857658 [CH2+]#CC#CC
49 63.02292652 [C+]#CC#CC
50 101.132477 CCCCCC[CH4+]
51 171.1379563 C#CCCCCCCCC(O)[OH2+]
52 169.1223062 C#CC=CCCCCCC(O)[OH2+]
53 167.1066561 C#CC#CCCCCCC(O)[OH2+]
54 165.0910061 C#CC#CC=CCCCC(O)[OH2+]
55 105.0698767 [CH2+]#CC#CC=CCC
56 111.1168269 [CH2+]#CCCCCCC
57 113.132477 CCCCCCC=[CH3+]
58 115.148127 CCCCCCC[CH4+]
59 161.1536063 CCCCCCCCC(O)[OH2+]
60 159.1379563 C=CCCCCCCC(O)[OH2+]
61 157.1223062 C#CCCCCCCC(O)[OH2+]
62 155.1066561 C#CC=CCCCCC(O)[OH2+]
63 137.0960915 C#CC#CCCCCC[OH2+]
64 153.0910061 C#CC#CCCCCC(O)[OH2+]
65 135.0804414 C#CC#CC=CCCC[OH2+]
66 151.075356 C#CC#CC=CCCC(O)[OH2+]
67 103.0542266 [CH2+]#CC#CC#CCC
68 89.03857658 [CH2+]#CC#CC#CC
69 75.02292652 C#CC#CC#[CH2+]
70 117.0698767 [CH2+]#CC#CC#CCCC
71 125.132477 [CH2+]#CCCCCCCC
72 127.148127 CCCCCCCC=[CH3+]
73 129.1637771 CCCCCCCC[CH4+]
74 147.1379563 CCCCCCCC(O)[OH2+]
75 145.1223062 C=CCCCCCC(O)[OH2+]
76 75.04405588 C=CC(O)[OH2+]
77 143.1066561 C#CCCCCCC(O)[OH2+]
78 141.0910061 C#CC=CCCCC(O)[OH2+]
79 123.0804414 C#CC#CCCCC[OH2+]
80 139.075356 C#CC#CCCCC(O)[OH2+]
81 121.0647913 C#CC#CC=CCC[OH2+]
82 137.0597059 C#CC#CC=CCC(O)[OH2+]
83 139.148127 [CH2+]#CCCCCCCCC
84 141.1637771 CCCCCCCCC=[CH3+]
85 143.1794272 CCCCCCCCC[CH4+]
86 133.1223062 CCCCCCC(O)[OH2+]
87 131.1066561 C=CCCCCC(O)[OH2+]
88 129.0910061 C#CCCCCC(O)[OH2+]
89 127.075356 C#CC=CCCC(O)[OH2+]
90 125.0597059 C#CC#CCCC(O)[OH2+]
91 123.0440559 C#CC#CC=CC(O)[OH2+]
92 131.0855268 [CH2+]#CC#CC#CCCCC
93 149.132477 [CH2+]#CC#CCCCCCCC
94 151.148127 [CH2+]#CC=CCCCCCCC
95 119.1066561 CCCCCC(O)[OH2+]
96 117.0910061 C=CCCCC(O)[OH2+]
97 115.075356 C#CCCCC(O)[OH2+]
98 113.0597059 C#CC=CCC(O)[OH2+]
99 111.0440559 C#CC#CCC(O)[OH2+]
100 109.0284058 C#CC#CC=C(O)[OH2+]
101 161.132477 [CH2+]#CC#CC=CCCCCCC
102 145.1011768 [CH2+]#CC#CC#CCCCCC
103 163.148127 [CH2+]#CC#CCCCCCCCC
104 165.1637771 [CH2+]#CC=CCCCCCCCC
105 105.0910061 CCCCC(O)[OH2+]
106 103.075356 C=CCCC(O)[OH2+]
107 85.06479133 C#CCCC[OH2+]
108 101.0597059 C#CCCC(O)[OH2+]
109 83.04914126 C#CC=CC[OH2+]
110 99.04405588 C#CC=CC(O)[OH2+]
111 97.02840582 C#CC#CC(O)[OH2+]
112 95.01275576 C#CC#CC(O)=[OH+]
113 175.148127 [CH2+]#CC#CC=CCCCCCCC
114 177.1637771 [CH2+]#CC#CCCCCCCCCC
115 179.1794272 [CH2+]#CC=CCCCCCCCCC
116 91.07535601 CCCC(O)[OH2+]
117 89.05970595 C=CCC(O)[OH2+]
118 71.04914126 C#CCC[OH2+]
119 87.04405588 C#CCC(O)[OH2+]
120 85.02840582 C#CC=C(O)[OH2+]
121 189.1637771 [CH2+]#CC#CC=CCCCCCCCC
122 159.1168269 [CH2+]#CC#CC#CCCCCCC
123 191.1794272 [CH2+]#CC#CCCCCCCCCCC
124 77.05970595 CCC(O)[OH2+]
125 57.0334912 C#CC[OH2+]
126 73.02840582 C#CC(O)[OH2+]
127 55.01784114 C#CC=[OH+]
128 203.1794272 [CH2+]#CC#CC=CCCCCCCCCC
129 205.1950772 [CH2+]#CC#CCCCCCCCCCCC
130 63.04405588 CC(O)[OH2+]
131 61.02840582 C=C(O)[OH2+]
132 43.01784114 C#C[OH2+]
133 217.1950772 [CH2+]#CC#CC=CCCCCCCCCCC
134 219.2107273 [CH2+]#CC#CCCCCCCCCCCCC
135 231.2107273 [CH2+]#CC#CC=CCCCCCCCCCCC
136 233.2263773 [CH2+]#CC#CCCCCCCCCCCCCC
137 261.221292 C#CC#CC=CCCCCCCCCCCCC[OH2+]
138 219.1743418 C#CC#CC=CCCCCCCCCC[OH2+]
139 165.1273916 C#CC#CCCCCCCC[OH2+]
140 163.1117415 C#CC#CC=CCCCCC[OH2+]
141 149.0960915 C#CC#CC=CCCCC[OH2+]
142 141.1273916 C#CCCCCCCC[OH2+]
143 139.1117415 C#CC=CCCCCC[OH2+]
144 125.0960915 C#CC=CCCCC[OH2+]
145 111.0804414 C#CC=CCCC[OH2+]
146 109.0647913 C#CC#CCCC[OH2+]
147 97.06479133 C#CC=CCC[OH2+]
148 95.04914126 C#CC#CCC[OH2+]
149 81.0334912 C#CC#CC[OH2+]
150 173.132477 [CH2+]#CC#CC#CCCCCCCC
151 187.148127 [CH2+]#CC#CC#CCCCCCCCC
152 215.1794272 [CH2+]#CC#CC#CCCCCCCCCCC
153 243.2107273 [CH2+]#CC#CC#CCCCCCCCCCCCC
154 277.2162066 C#CC#CC=CCCCCCCCCCCCC(O)[OH2+]