Name | Value |
---|---|
InChI=1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3 | |
NMMIHXMBOZYNET-UHFFFAOYSA-N | |
C7H7NO2 | |
137.047678464 | |
O=C(OC)C1=NC=CC=C1 |
Name | Value |
---|---|
1.065585 | |
30 | |
C7H7NO2 | |
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 | |
1.0511388159590538 | |
0.5866517431672437 | |
138.054962158203 | |
[M+H]+ | |
4.971250480681786 ppm | |
-6.863057969894726E-4 Da |