#In-silico MS/MS By CFM-ID Version 4.0.0 #POSITIVE ESI IONIZATION [M+H]+ energy0 29.03857658 2.071485793 16 (2.0715) 67.05422664 2.082700309 26 33 (1.9956 0.08706) 79.05422664 23.00160867 15 23 (22.033 0.96819) 81.06987671 3.380089954 14 13 19 (1.6588 1.1192 0.60203) 107.0855268 59.82892905 0 37 17 32 (52.288 5.0632 1.7203 0.75702) energy1 39.02292652 4.209286617 9 (4.2093) 63.02292652 3.366053686 6 (3.3661) 65.03857658 5.218141865 5 4 (4.5153 0.70288) 77.03857658 3.712957929 28 25 (2.119 1.5939) 79.05422664 18.27515646 15 23 (15.267 3.008) 81.06987671 4.690083886 14 19 13 (3.2105 1.2011 0.27845) 91.05422664 9.066111735 1 2 12 18 7 (4.749 2.1278 1.4584 0.44041 0.29062) 105.0698767 2.989656206 29 38 35 (2.2782 0.44365 0.26778) 107.0855268 30.45501451 0 17 37 32 (19.23 6.5617 3.172 1.4915) energy2 39.02292652 16.36407144 9 (16.364) 51.02292652 6.141131068 21 (6.1411) 53.03857658 5.20736647 20 (5.2074) 65.03857658 23.09406766 5 4 (17.6 5.4944) 67.05422664 4.337215366 33 26 (3.176 1.1613) 77.03857658 4.236373629 25 28 (2.3609 1.8755) 79.05422664 14.96006133 15 23 (9.409 5.551) 91.05422664 6.285821202 1 2 12 7 18 (1.883 1.6959 1.6566 0.99499 0.055315) 0 107.0855268 [CH4+]Cc1ccccc1 1 91.05422664 [CH+]=C1C=CC=CC1 2 91.05422664 [CH+]=C(C=C)C=C=C Intermediate Fragment 3 75.02292652 C#CC(=[CH+])C#C 4 65.03857658 C#CC(=[CH+])C 5 65.03857658 C#CCC#[CH2+] 6 63.02292652 [C+]#CCC#C 7 91.05422664 [CH+]=C(C)C=C=C=C Intermediate Fragment 8 41.03857658 [CH2+]#CC 9 39.02292652 [C+]#CC 10 75.02292652 [C+]#CC=C=C=C 11 89.03857658 C#CC#CC(=[CH+])C 12 91.05422664 [CH2+]#CC=C=C=CC Intermediate Fragment 13 81.06987671 C1=C[CH2+]=CCC1 14 81.06987671 C=CCC=C=[CH3+] Intermediate Fragment 15 79.05422664 C#CCCC#[CH2+] 16 29.03857658 C=[CH3+] 17 107.0855268 C=C=CC(C#[CH2+])CC Intermediate Fragment 18 91.05422664 C#CC(C#[CH2+])C=C 19 81.06987671 C=CC(C)C#[CH2+] 20 53.03857658 C=CC#[CH2+] 21 51.02292652 C#CC#[CH2+] 22 55.05422664 [CH2+]#CCC 23 79.05422664 C#CC(C)C#[CH2+] 24 49.00727645 [C+]#CC#C 25 77.03857658 C#CC(=C)C#[CH2+] 26 67.05422664 C=CCC#[CH2+] 27 43.05422664 CC=[CH3+] 28 77.03857658 C#CC=CC#[CH2+] 29 105.0698767 C#CCC(C#[CH2+])C=C 30 89.03857658 [C+]#CC(C)=CC#C 31 103.0542266 C#CCC(C#C)C#[CH2+] 32 107.0855268 C=C=CCC(C)C#[CH2+] Intermediate Fragment 33 67.05422664 C=C(C)C#[CH2+] 34 57.06987671 CCC=[CH3+] 35 105.0698767 [CH2+]#CC(C)=CC#CC 36 89.03857658 [CH2+]#CC#CC#CC 37 107.0855268 [CH2+]#CCCC=C=CC Intermediate Fragment 38 105.0698767 C=CC#CCCC#[CH2+]