Name | Value |
---|---|
InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1 | |
AAWZDTNXLSGCEK-LNVDRNJUSA-N | |
C7H12O6 | |
192.06338810399998 | |
O=C(O)C1(O)CC(O)C(O)C(O)C1 |
Name | Value |
---|---|
10 | |
5.96 | |
C7H12O6 | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
DDA | |
Merck SeQuant ZIC pHILIC Guard column (2.1 mm x 20 mm, 5 µm particle size) with Merck SeQuant ZIC pHILIC (2.1 x 100 mm, 5 µm particle size, 100 Å) | |
12/88 at 0 min, 40/60 at 8.5 min, 75/25 at 8.7-11.2 min; 12/88 at 11.5-22 min | |
0.28ml/min | |
5 mM ammonium acetate in water with 0.04% NH4OH (pH 9.3) | |
acetonitrile | |
NEG_2020-11-24_V01B_RCH_LC06_tDDA_ChemSTD_219_CPD_Meister2020_OPEN.msp | |
negative | |
1.4338497402937436 | |
0.5294767946732113 | |
191.056106567383 | |
[M-H]- | |
0.028979010832186958 ppm | |
-5.536616981771658E-6 Da |