Name | Value |
---|---|
InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) | |
YQUVCSBJEUQKSH-UHFFFAOYSA-N | |
C7H6O4 | |
154.026608672 | |
O=C(O)C1=CC=C(O)C(O)=C1 |
Name | Value |
---|---|
6.01 | |
30 | |
C7H6O4 | |
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 | |
1.3895429007858444 | |
0.7140837933655004 | |
153.019332885742 | |
[M-H]- | |
0.0013968298375780556 ppm | |
2.137419699010934E-7 Da |