Name | Value |
---|---|
ILEDWLMCKZNDJK-UHFFFAOYSA-N | |
C9H6O4 | |
178.026608672 | |
O=C1OC=2C=C(O)C(O)=CC2C=C1 | |
InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H |
Name | Value |
---|---|
M + 0 | |
186 | |
positive | |
HCD (NCE 20-30-40%) | |
1.473367 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
Michael Sa and Megan Showalter | |
MS2 | |
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm) | |
0.7107057110384641 | |
0.2334375014722843 | |
179.0338 | |
[M+H]+ | |
4.349301640224331 ppm | |
-7.786719999955949E-4 Da |