Name | Value |
---|---|
InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 | |
OYIFNHCXNCRBQI-BYPYZUCNSA-N | |
C6H11NO4 | |
161.068807832 | |
O=C(O)CCCC(N)C(=O)O |
Name | Value |
---|---|
8.18 | |
20 | |
C6H11NO4 | |
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 | |
1.5164618454846124 | |
0.69017152872151 | |
162.076080322266 | |
[M+H]+ | |
4.303594537968712 ppm | |
-6.97509734010282E-4 Da |