Name | Value |
---|---|
InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3 | |
SQVIAVUSQAWMKL-UHFFFAOYSA-N | |
C10H15NO2 | |
181.11027872 | |
OC1=CC=CC(=C1)C(O)CNCC |
External Identifier | Value |
---|---|
709-55-7 | |
91518 | |
D07931 | |
3306 | |
3190 |
Name | Value |
---|---|
2018.09.08 | |
HB000912 | |
Tobias Schulze, Carolin Huber, Martin Krauss, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
CC0 | |
Copyright (C) 2018 | |
Oberacher H, Sasse M, Antignac J-P, Guitton Y, Debrauwer L, Jamin E L, Schulze T, Krauss M, Covaci A, Caballero-Casero N, Rosseau K, Damont A, Fenaille F, Lamoree M, Schymanski E, A European proposal for quality control and quality assurance of tandem mass spectral libraries, Environmental Sciences Europe, https://doi.org/10.1186/s12302-020-00314-9 | |
181.1103 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
35% (nominal) | |
15000 | |
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 at 32 min | |
300 uL/min | |
0.505 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 2.9.1 | |
positive | |
0.0 | |
NaN | |
182.1176 | |
[M+H]+ | |
3.5620939436206296 ppm | |
-6.487199999867244E-4 Da |