Name | Value |
---|---|
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H | |
TZBJGXHYKVUXJN-UHFFFAOYSA-N | |
C15H10O5 | |
270.05282342 | |
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3 |
External Identifier | Value |
---|---|
152-95-4 | |
28088 | |
C06563 | |
LMPK12050218 | |
5280961 | |
4444448 |
Name | Value |
---|---|
NA000029 | |
2018.08.29 | |
Tobias Schulze, Hubert Schupke, Martin Krauss, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
CC BY | |
Copyright (C) 2018 | |
270.0528 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
25 % (nominal) | |
15000 | |
Kinetex Evo C18 2.6 um 50 x 2.1 mm | |
95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min, 95/5 at 24.3 min, 95/5 at 32 min | |
300 uL/min | |
9.882 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.9.1 | |
positive | |
0.7326635081924477 | |
0.35233666996985163 | |
271.0601 | |
[M+H]+ | |
2.5581780572080053 ppm | |
-6.934200000046076E-4 Da |