Name | Value |
---|---|
InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 | |
KUYNOZVWCFXSNE-BYNIDDHOSA-N | |
C14H15NO7 | |
309.08485182 | |
O=C(O)C1OC(OC2=CNC=3C=CC=CC23)C(O)C(O)C1O |
Name | Value |
---|---|
4.77 | |
10 | |
C14H15NO7 | |
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 | |
2.482280227760434 | |
0.7711637114370737 | |
308.077575683594 | |
[M-H]- | |
4.4276515442330457E-4 ppm | |
-1.3640601537190378E-7 Da |