Name | Value |
---|---|
InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3 | |
WXWCDTXEKCVRRO-UHFFFAOYSA-N | |
C8H11NO | |
137.084063972 | |
O(C1=CC=C(C=C1N)C)C |
External Identifier | Value |
---|---|
120-71-8 | |
82307 | |
C19216 | |
8445 | |
13869579 |
Name | Value |
---|---|
KW100201 | |
2017.03.12 | |
Erik Emke, Andrea Brunner, KWR | |
CC BY | |
Copyright (C) 2017 KWR watercycle research institute | |
137.0841 | |
Orbitrap Classic, Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
35 eV IT-MS | |
nominal | |
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 | |
5.153 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 | |
0.0 | |
NaN | |
138.0913 | |
[M+H]+ | |
5.315121227811843 ppm | |
-7.339720000061334E-4 Da |