| Name | Value |
|---|---|
| InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1 | |
| KSMRODHGGIIXDV-YFKPBYRVSA-N | |
| C7H12N2O4 | |
| 188.079706864 | |
| O=C(O)C(N=C(O)C)CCC(=N)O |
| Name | Value |
|---|---|
| 4.604638 | |
| 30 | |
| C7H12N2O4 | |
| 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 | |
| 1.169629516437211 | |
| 0.6010706696838158 | |
| 189.086990356445 | |
| [M+H]+ | |
| 3.6306440422385005 ppm | |
| -6.865075550024358E-4 Da |