Name | Value |
---|---|
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) | |
NGVDGCNFYWLIFO-UHFFFAOYSA-N | |
C8H10NO6P | |
247.02457367 | |
O=CC1=C(O)C(=NC=C1COP(=O)(O)O)C |
Name | Value |
---|---|
7.471121 | |
10 | |
C8H10NO6P | |
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 | |
1.1224564671056128 | |
0.697421415535079 | |
248.031860351563 | |
[M+H]+ | |
2.7549623504631175 ppm | |
-6.833184369838818E-4 Da |