Name | Value |
---|---|
InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3 | |
ULHFFAFDSSHFDA-UHFFFAOYSA-N | |
C8H11NO | |
137.084063972 | |
O(C=1C=CC=CC1N)CC |
External Identifier | Value |
---|---|
94-70-2 | |
7203 | |
21106580 |
Name | Value |
---|---|
KW104301 | |
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 | |
5.030 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 |