Name | Value |
---|---|
InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3 | |
QNFBKOHHLAWWTC-UHFFFAOYSA-N | |
C11H10O5 | |
222.05282341999998 | |
O=C1OC=2C(O)=C(OC)C(OC)=CC2C=C1 |
External Identifier | Value |
---|---|
525-21-3 | |
81120 | |
C17479 | |
3083616 | |
2340791 |
Name | Value |
---|---|
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 | |
7.584 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 | |
0.0 | |
NaN | |
223.0601 | |
[M+H]+ | |
3.108668919166565 ppm | |
-6.934199999761859E-4 Da | |
NA002597 | |
2020.02.21 | |
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 | |
222.0528 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
15% (nominal) | |
15000 |