Name | Value |
---|---|
InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) | |
ONJSZLXSECQROL-UHFFFAOYSA-N | |
C9H9NO4 | |
195.05315776799998 | |
O=C(O)CN=C(O)C=1C=CC=CC1O |
Name | Value |
---|---|
40 | |
2.02 | |
C9H9NO4 | |
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 | |
0.6381822515410085 | |
0.3965249274983383 | |
194.045883178711 | |
[M-H]- | |
0.007269986791043627 ppm | |
1.4107110075656237E-6 Da |