Name | Value |
---|---|
PGRHXDWITVMQBC-UHFFFAOYSA-N | |
C8H8O4 | |
168.042258736 | |
O=C1OC(=CC(=O)C1C(=O)C)C | |
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3 |
Name | Value |
---|---|
MS2 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
C8H8O4 | |
negative | |
HCD (NCE 20-30-40%) | |
Sonnenburg Lab MS2 Library C18 negative method | |
Sonnenburg_Lab_QE_MS2_Spectra.msp | |
0.8340705926880402 | |
0.6016547539111771 | |
167.0349827 | |
[M-H]- | |
2.1552381787092598E-4 ppm | |
-3.600001718950807E-8 Da |