Name | Value |
---|---|
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1 | |
MSWZFWKMSRAUBD-IVMDWMLBSA-N | |
C6H13NO5 | |
179.07937251599998 | |
OCC1OC(O)C(N)C(O)C1O |
Name | Value |
---|---|
10 | |
10.81459 | |
C6H13NO5 | |
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 | |
2.4746732243280833 | |
0.8404566173175217 | |
162.076080322266 | |
[M+H-H2O]+ | |
25.159827766793263 ppm | |
0.0040778062660251635 Da |