Name | Value |
---|---|
InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1 | |
JFLIEFSWGNOPJJ-JTQLQIEISA-N | |
C13H16N2O4 | |
264.111006992 | |
O=C(O)C(N=C(O)CC=1C=CC=CC1)CCC(=N)O |
Name | Value |
---|---|
2.543679 | |
0 | |
C13H16N2O4 | |
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 | |
1.8176985728448924 | |
0.6555961792185682 | |
287.100219726563 | |
[M+Na]+ | |
1.9410136207509388 ppm | |
-5.572654370098462E-4 Da |