| Name | Value |
|---|---|
| InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | |
| VYFYYTLLBUKUHU-UHFFFAOYSA-N | |
| C8H11NO2 | |
| 153.078978592 | |
| OC1=CC=C(C=C1O)CCN |
| Name | Value |
|---|---|
| 8.49 | |
| ESI | |
| DDA | |
| 10 | |
| C8H11NO2 | |
| Centroid | |
| Isabel Meister, Romanas Chaleckis | |
| Agilent 6550 iFunnel | |
| LC-ESI-QTOF | |
| CC-BY | |
| MS2 | |
| 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 | |
| 0.8252714379452601 | |
| 0.5127699748896349 | |
| 154.08625793457 | |
| [M+H]+ | |
| 4.482277908859593 ppm | |
| -6.906574299989643E-4 Da |