Name | Value |
---|---|
InChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+ | |
LXOPDEDFRXZTNO-FBMGVBCBSA-N | |
C17H17NO4 | |
299.115758024 | |
O=C(O)C(=NOC)C=1C=CC=CC1COC=2C=CC=CC2C |
External Identifier | Value |
---|---|
1007364-30-8 | |
20055208 | |
16736371 |
Name | Value |
---|---|
EQ346357 | |
2015.08.26 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
299.11576 | |
Q Exactive Plus Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
120 (nominal) | |
35000 | |
XBridge C18 3.5um, 2.1x50mm, Waters | |
90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min | |
200 ul/min | |
11.2 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 1.9.6 | |
negative | |
0.0 | |
NaN | |
298.1085 | |
[M-H]- | |
0.060300192651300814 ppm | |
1.797599998099031E-5 Da |