Name | Value |
---|---|
InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24) | |
PUFQVTATUTYEAL-UHFFFAOYSA-N | |
C20H29N3O2 | |
343.22597716800004 | |
OC(=NCCN(CC)CC)C=1C=C(N=C2C=CC=CC21)OCCCC |
External Identifier | Value |
---|---|
85-79-0 | |
247956 | |
D00733 | |
3025 | |
2917 |
Name | Value |
---|---|
HB000350 | |
300 uL/min | |
2018.09.08 | |
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 | |
343.226 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
155% (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 | |
8.749 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 | |
1.0560178074109239 | |
0.5078372179473921 | |
344.2333 | |
[M+H]+ | |
1.8800272956081334 ppm | |
-6.471680000572633E-4 Da |