#In-silico MS/MS By CFM-ID Version 4.0.0 #POSITIVE ESI IONIZATION [M+H]+ energy0 43.01784114 9.147241182 8 (9.1472) 43.05422664 18.76439142 16 (18.764) 61.02840582 4.841517768 21 (4.8415) 69.06987671 5.760456935 28 (5.7605) 71.08552677 33.15617563 5 (33.156) 131.1066561 11.73045722 0 (11.73) energy1 41.03857658 4.491216349 14 (4.4912) 43.01784114 13.46707493 8 (13.467) 43.05422664 6.134832616 16 (6.1348) 55.05422664 19.81558447 2 12 (18.554 1.2619) 69.06987671 5.239143388 28 (5.2391) 71.08552677 33.28756564 5 (33.288) energy2 41.03857658 17.00158975 14 (17.002) 43.01784114 23.54679711 8 (23.547) 43.05422664 11.95291042 16 (11.953) 55.05422664 16.7757438 2 12 (15.401 1.3748) 69.06987671 12.8695346 28 (12.87) 0 131.1066561 CC(=[OH+])OCCC(C)C 1 115.075356 C#CCCOC(C)[OH2+] 2 55.05422664 [CH2+]#CCC 3 115.075356 C=C(C)C=COC[OH2+] 4 67.05422664 C#CC(C)=[CH3+] 5 71.08552677 CCC(C)=[CH3+] 6 75.04405588 C=C([OH2+])OC 7 57.0334912 C#C[OH+]C 8 43.01784114 C#C[OH2+] 9 45.0334912 C=C[OH2+] 10 73.02840582 C=[O+]C(=C)O 11 55.01784114 C#C[O+]=C 12 55.05422664 [CH+]=C(C)C 13 57.06987671 CC(C)=[CH3+] 14 41.03857658 [CH2+]#CC 15 59.08552677 CC(C)[CH4+] 16 43.05422664 CC=[CH3+] 17 45.06987671 CC[CH4+] 18 39.02292652 [C+]#CC 19 87.04405588 C=COC(=C)[OH2+] 20 89.05970595 C=C([OH2+])OCC 21 61.02840582 C=C(O)[OH2+] 22 71.04914126 C#C[OH+]CC 23 91.07535601 CCOC(C)[OH2+] 24 63.04405588 CC(O)[OH2+] 25 44.99710569 O=C=[OH+] 26 59.01275576 [CH+]=C(O)O 27 41.00219107 [C+]#CO 28 69.06987671 C=CC(C)=[CH3+] 29 53.03857658 C=CC#[CH2+] 30 27.02292652 C#[CH2+] 31 29.03857658 C=[CH3+] 32 31.05422664 C[CH4+] 33 113.0960915 C=C[OH+]CCC(=C)C 34 97.06479133 C#CCC[OH+]C=C 35 87.08044139 C=C(C)CC[OH2+] 36 89.09609146 CC(C)CC[OH2+] 37 73.06479133 C=CCC[OH2+] 38 47.04914126 CC[OH2+] 39 85.06479133 C=C(C)C=C[OH2+] 40 129.0910061 C=C(C)CCOC(=C)[OH2+]