Name | Value |
---|---|
InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 | |
UCTWMZQNUQWSLP-VIFPVBQESA-N | |
C9H13NO3 | |
183.08954327599997 | |
OC1=CC=C(C=C1O)C(O)CNC |
Name | Value |
---|---|
8.803226 | |
10 | |
C9H13NO3 | |
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 | |
1.1659752643186072 | |
0.5991927555774642 | |
166.08625793457 | |
[M+H-H2O]+ | |
24.59359745250953 ppm | |
0.004084658570036481 Da |