Name | Value |
---|---|
InChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14) | |
CPNZASIAJKSBBH-UHFFFAOYSA-N | |
C12H13NO3 | |
219.089543276 | |
OC1=NC=CC=2C=C(OC)C(OC)=CC2C1 |
External Identifier | Value |
---|---|
73942-87-7 | |
1482373 | |
1223536 |
Name | Value |
---|---|
KW105904 | |
2017.03.12 | |
Erik Emke, Andrea Brunner, KWR | |
CC BY | |
Copyright (C) 2017 KWR watercycle research institute | |
219.0895 | |
Orbitrap Classic, Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
65 eV FT-MS | |
30000 | |
XBridge C18 3.5um, 2.1x150mm, Waters | |
95/5 at 0 min, 0/100 at 40 min, 0/100 at 45 min, 95/5 at 47 min, 95/5 at 52 min | |
300 uL/min | |
10.496 min | |
water with 0.05% formic acid | |
acetonitrile with 0.05% formic acid | |
identity | |
Peaks with additional N2/O included | |
RMassBank 2.2.0 | |
positive | |
0.2826943809623214 | |
0.1359472605005055 | |
220.0968 | |
[M+H]+ | |
3.2407377117661014 ppm | |
-7.132759999990412E-4 Da |