Name | Value |
---|---|
InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) | |
TXCGAZHTZHNUAI-UHFFFAOYSA-N | |
C10H11ClO3 | |
214.039671892 | |
O=C(O)C(OC1=CC=C(Cl)C=C1)(C)C |
External Identifier | Value |
---|---|
882-09-7 | |
34648 | |
D07723 | |
2797 | |
2695 |
Name | Value |
---|---|
2014.01.14 | |
EA020462 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
214.0397 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
75 % (nominal) | |
15000 | |
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 | |
10.1 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
Spline | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.3.1 | |
negative | |
0.0 | |
NaN | |
213.0324 | |
[M-H]- | |
0.01928345164691416 ppm | |
4.107999984626076E-6 Da |