Name | Value |
---|---|
UIERETOOQGIECD-ONEGZZNKSA-N | |
C5H8O2 | |
100.052429496 | |
O=C(O)C(=CC)C | |
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+ |
Name | Value |
---|---|
MS2 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
C5H8O2 | |
negative | |
HCD (NCE 20-30-40%) | |
Sonnenburg Lab MS2 Library C18 negative method | |
Sonnenburg_Lab_QE_MS2_Spectra.msp | |
0.5893362559295139 | |
0.2559454839357104 | |
99.0451535 | |
[M-H]- | |
4.038562402714116E-5 ppm | |
4.000000330961484E-9 Da |