Name | Value |
---|---|
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) | |
GJAWHXHKYYXBSV-UHFFFAOYSA-N | |
C7H5NO4 | |
167.02185764 | |
O=C(O)C1=NC=CC=C1C(=O)O |
Name | Value |
---|---|
8.08 | |
40 | |
C7H5NO4 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
DDA | |
Merck SeQuant ZIC pHILIC Guard column (2.1 mm x 20 mm, 5 µm particle size) with Merck SeQuant ZIC pHILIC (2.1 x 100 mm, 5 µm particle size, 100 Å) | |
12/88 at 0 min, 40/60 at 8.5 min, 75/25 at 8.7-11.2 min; 12/88 at 11.5-22 min | |
0.28ml/min | |
5 mM ammonium acetate in water with 0.04% NH4OH (pH 9.3) | |
acetonitrile | |
NEG_2020-11-24_V01B_RCH_LC06_tDDA_ChemSTD_219_CPD_Meister2020_OPEN.msp | |
negative | |
0.9648604218977208 | |
0.8782538042310254 | |
166.014587402344 | |
[M-H]- | |
0.03470986543291111 ppm | |
5.762343988635621E-6 Da |