Name | Value |
---|---|
InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 | |
VEQOALNAAJBPNY-UHFFFAOYSA-N | |
C11H12N2O | |
188.094963004 | |
O=C1C=C(N(N1C=2C=CC=CC2)C)C |
External Identifier | Value |
---|---|
60-80-0 | |
31225 | |
D01776 | |
2206 | |
2121 |
Name | Value |
---|---|
HB001332 | |
positive | |
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 | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.9.1 | |
188.095 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
75% (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 | |
5.575 min | |
water with 0.1% formic acid | |
2.782948221912452 | |
0.7445677403640081 | |
189.1022 | |
[M+H]+ | |
3.8762320056714525 ppm | |
-7.330039999828841E-4 Da |