Name | Value |
---|---|
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 | |
UIKROCXWUNQSPJ-VIFPVBQESA-N | |
C10H12N2O | |
176.094963004 | |
O=C1N(C)C(C=2C=NC=CC2)CC1 |
Name | Value |
---|---|
5.669574 | |
0 | |
C10H12N2O | |
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 | |
0.3036759895717215 | |
0.43811184419217114 | |
177.102233886719 | |
[M+H]+ | |
3.9475350798498345 ppm | |
-6.991172809875934E-4 Da |