Name | Value |
---|---|
InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17) | |
XIKIUQUXDNHBFR-UHFFFAOYSA-N | |
C15H12O4 | |
256.073558864 | |
O=C(O)C=1C=CC=CC1C(=O)OCC=2C=CC=CC2 |
External Identifier | Value |
---|---|
2528-16-7 | |
132612 | |
31736 | |
29430 |
Name | Value |
---|---|
UF420403 | |
2017.01.05 | |
Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany | |
CC BY | |
Copyright (C) 2017 | |
256.0736 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
35 (nominal) | |
15000 | |
Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex | |
90/10 at 0 min, 80/20 at 3.2 min, 5/95 at 17.8 min, 5/95 at 37.8 min, 90/10 at 37.9 min, 90/10 at 47 min | |
200 uL/min | |
23.531 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 2.2.1 | |
positive | |
0.04175302993661925 | |
0.06023688923164903 | |
257.0808 | |
[M+H]+ | |
2.8351553285800044 ppm | |
-7.288639999956104E-4 Da |