| Name | Value |
|---|---|
| InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 | |
| XIGSAGMEBXLVJJ-YFKPBYRVSA-N | |
| C7H15N3O3 | |
| 189.11134133999997 | |
| O=C(O)C(N)CCCCNC(=N)O |
| Name | Value |
|---|---|
| 30 | |
| 9.1 | |
| C7H15N3O3 | |
| Centroid | |
| Isabel Meister, Romanas Chaleckis | |
| Agilent 6550 iFunnel | |
| LC-ESI-QTOF | |
| CC-BY | |
| MS2 | |
| ESI | |
| DDA | |
| 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_V01_RCH_LC02_tDDA_ChemSTD_Meister2020_OPEN.msp | |
| positive | |
| 1.6910280196263205 | |
| 0.6805197369368344 | |
| 190.118621826172 | |
| [M+H]+ | |
| 3.6267558714432684 ppm | |
| -6.895138279787716E-4 Da |