Name | Value |
---|---|
InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) | |
QRMZSPFSDQBLIX-UHFFFAOYSA-N | |
C9H10O4 | |
182.0579088 | |
O=C(O)CC1=CC=C(O)C(OC)=C1 |
Name | Value |
---|---|
3.06 | |
10 | |
C9H10O4 | |
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 | |
1.19988583785694 | |
0.7455309885438468 | |
181.050628662109 | |
[M-H]- | |
0.02285488341988231 ppm | |
-4.137891011168904E-6 Da |