Name | Value |
---|---|
XNGIFLGASWRNHJ-UHFFFAOYSA-N | |
C8H6O4 | |
166.026608672 | |
O=C(O)C=1C=CC=CC1C(=O)O | |
InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
Name | Value |
---|---|
MS2 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
C8H6O4 | |
positive | |
HCD (NCE 20-30-40%) | |
Sonnenburg Lab MS2 Library C18 positive method | |
Sonnenburg_Lab_QE_MS2_Spectra.msp | |
1.729225175426642 | |
0.7211429102191843 | |
189.0158267 | |
[M+Na]+ | |
2.9202422339318947 ppm | |
-5.519720000108919E-4 Da |