Name | Value |
---|---|
InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1 | |
AZKVWQKMDGGDSV-BCMRRPTOSA-N | |
C11H14O5 | |
226.084123548 | |
O=C(OC)C1=COC(O)C2C(=CCC12)CO |
Name | Value |
---|---|
1.08 | |
CC-BY | |
10 | |
C11H14O5 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
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 | |
1.9195831211903465 | |
0.6775286178915647 | |
225.076843261719 | |
[M-H]- | |
0.01904363394201485 ppm | |
-4.286281011900428E-6 Da |