| Name | Value |
|---|---|
| InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3 | |
| AEUTYOVWOVBAKS-UHFFFAOYSA-N | |
| C10H24N2O2 | |
| 204.183778008 | |
| OCC(NCCNC(CO)CC)CC |
| External Identifier | Value |
|---|---|
| 74-55-5 | |
| 94436 | |
| 3279 | |
| 3164 |
| Name | Value |
|---|---|
| 2018.09.08 | |
| HB000837 | |
| 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 | |
| 204.1838 | |
| LTQ Orbitrap XL Thermo Scientific | |
| LC-ESI-ITFT | |
| MS2 | |
| ESI | |
| CID | |
| 80% (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 | |
| 0.342 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 | |
| 0.10937558733430744 | |
| 0.052598539147174356 | |
| 205.1911 | |
| [M+H]+ | |
| 3.1580706959739318 ppm | |
| -6.480079999846566E-4 Da |