Name | Value |
---|---|
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | |
COLNVLDHVKWLRT-QMMMGPOBSA-N | |
C9H11NO2 | |
165.078978592 | |
O=C(O)C(N)CC=1C=CC=CC1 |
External Identifier | Value |
---|---|
63-91-2 | |
58095 | |
C00079 | |
6140 | |
5910 |
Name | Value |
---|---|
RP000412 | |
2017.10.20 | |
BGC, Helmholtz Zentrum Muenchen | |
CC BY | |
Copyright (C) 2017 | |
165.07898 | |
maXis plus UHR-ToF-MS, Bruker Daltonics | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
20 | |
BEH C18 1.7um, 2.1x100mm, Waters | |
95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min | |
400 uL/min | |
1.398 min | |
Water with 0.1% formic acid | |
ACN with 0.1% formic acid | |
Peaks with additional N2/O included | |
RMassBank 2.4.0 | |
negative | |
1.2353276298276867 | |
0.7675522120386662 | |
164.0717 | |
[M-H]- | |
0.01579797134735043 ppm | |
-2.5920000155110756E-6 Da |