Name | Value |
---|---|
InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 | |
RADKZDMFGJYCBB-UHFFFAOYSA-N | |
C8H9NO3 | |
167.05824314799997 | |
O=CC1=C(O)C(=NC=C1CO)C |
Name | Value |
---|---|
7.250308 | |
0 | |
C8H9NO3 | |
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 | |
1.1358752096627922 | |
0.583724387384602 | |
168.065521240234 | |
[M+H]+ | |
4.116892988299592 ppm | |
-6.919077659688355E-4 Da |