Name | Value |
---|---|
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H | |
IYRMWMYZSQPJKC-UHFFFAOYSA-N | |
C15H10O6 | |
286.04773804 | |
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3 |
External Identifier | Value |
---|---|
520-18-3 | |
28499 | |
C05903 | |
LMPK12110003 | |
5280863 | |
4444395 |
Name | Value |
---|---|
NA003381 | |
2020.02.22 | |
Tobias Schulze, Martin Krauss, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
CC0 | |
Copyright (C) 2020 by Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
286.0477 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
70% (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, 95/5/0 at 32 min | |
300 uL/min | |
10.404 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 2.14.1 | |
positive | |
2.42307226083536 | |
0.8229317292631829 | |
287.055 | |
[M+H]+ | |
2.4665656407529886 ppm | |
-7.080400000063491E-4 Da |