Name | Value |
---|---|
InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3 | |
ZMCBYSBVJIMENC-UHFFFAOYSA-N | |
C9H11NO2 | |
165.078978592 | |
O=C(OCC)C=1C=CC=C(N)C1 |
Name | Value |
---|---|
1.042133 | |
0 | |
C9H11NO2 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
AIF | |
Merck SeQuant ZIC HILIC (2.1 x 100 mm, 3.5 µm particle size) with Merck SeQuant ZIC HILIC Guard column (2.1 mm x 2 mm, 3.5 µm particle size) | |
5/95 at 0-1.5 min, 60/40 at 12-14 min, 75/25 at 14.2-17 min; 5/95 at 18-25 min | |
0.3ml/min | |
water with 0.1% formic acid (pH2.7) | |
acetonitrile with 0.1% formic acid | |
POS_2020-06-11_V02-RCH_LC02_AIF_ChemSTD_Meister2020_OPEN.msp | |
positive | |
0.7788847069908462 | |
0.4839482784476399 | |
166.08625793457 | |
[M+H]+ | |
4.1584261009182955 ppm | |
-6.906574299989643E-4 Da |