Name | Value |
---|---|
FUGYGGDSWSUORM-UHFFFAOYSA-N | |
C8H8O | |
120.057514876 | |
OC1=CC=C(C=C)C=C1 | |
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 |
Name | Value |
---|---|
MS2 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
C8H8O | |
positive | |
HCD (NCE 20-30-40%) | |
Sonnenburg Lab MS2 Library C18 positive method | |
Sonnenburg_Lab_QE_MS2_Spectra.msp | |
2.70770544123788 | |
0.8310697395363755 | |
121.0647909 | |
[M+H]+ | |
5.73226943056462 ppm | |
-6.939759999937678E-4 Da |