Name | Value |
---|---|
C10H10O2 | |
162.06807956 | |
O=C(OC)C=CC=1C=CC=CC1 | |
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+ | |
CCRCUPLGCSFEDV-BQYQJAHWSA-N |
External Identifier | Value |
---|---|
103-26-4 | |
7644 | |
7361 |
Name | Value |
---|---|
KW106603 | |
2017.03.12 | |
Erik Emke, Andrea Brunner, KWR | |
CC BY | |
Copyright (C) 2017 KWR watercycle research institute | |
162.0681 | |
Orbitrap Classic, Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
CID | |
35 eV FT-MS II | |
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 | |
20.119 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 | |
0.24708800074645634 | |
0.15352440677426477 | |
163.0754 | |
[M+H]+ | |
3.983188144866625 ppm | |
-6.495599999993829E-4 Da |