Name | Value |
---|---|
SKZKKFZAGNVIMN-UHFFFAOYSA-N | |
C7H7NO2 | |
137.047678464 | |
InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) | |
N=C(O)C=1C=CC=CC1O |
Name | Value |
---|---|
0 | |
C7H7NO2 | |
1.075452 | |
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 | |
0.9018634116528554 | |
0.6505569357753882 | |
138.054962158203 | |
[M+H]+ | |
4.971250480681786 ppm | |
-6.863057969894726E-4 Da |