Name | Value |
---|---|
InChI=1S/C20H22ClNO4/c1-20(2,19(24)25-3)26-17-10-4-14(5-11-17)12-13-22-18(23)15-6-8-16(21)9-7-15/h4-11H,12-13H2,1-3H3,(H,22,23) | |
KDYYGGKDZBRIIX-UHFFFAOYSA-N | |
C20H22ClNO4 | |
375.123735864 | |
O=C(OC)C(OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(Cl)C=C2)(C)C |
External Identifier | Value |
---|---|
27524758 | |
125389450 |
Name | Value |
---|---|
ET290202 | |
2016.12.08 | |
Michael Stravs, Francesco Pomati, Juliane Hollender | |
CC BY-SA | |
Copyright (C) Michael Stravs @ Eawag | |
375.1237 | |
Q-Exactive + Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
30 % (nominal) | |
17500 | |
Atlantis T3 3um, 3.0x150mm, Waters | |
87/13 at 0 min, 87/13 at 5 min, 5/95 at 20 min, 5/95 at 29 min, 87/13 at 29.5 min, 87/13 at 35 min | |
300 uL/min | |
22.957 min | |
water with 0.1% formic acid | |
MeOH with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.99.11 | |
positive | |
2.23728532487407 | |
0.6644160293106937 | |
376.131 | |
[M+H]+ | |
1.8766440417133388 ppm | |
-7.058640000536798E-4 Da |