. 2023 Sep 16;415(27):6663–6675. doi: 10.1007/s00216-023-04942-x

Table 7.

Unique groupings observed for LP9 in ESI + mode

Group	Optimum 3 solvents	KM	KMD	H/C	O/C	DBE	Unique heteroatom classes
4	3:1 AcN:H₂O	819–1111	0.24–0.46	1.3–2.1	0.01–0.4	0–28	O_4-15, N₂O_10-18, N₄O_6-13, N₅O_6-8, S₁O_10-15, S₁N₃, S₁N₅O_3-13
5	1:3 AcN:H₂O 1:1 acetone:H₂O 1:1 AcN:H₂O	364–677	0.24–0.5	0.5–2.5	0.02–1.2	0–25	S₁N₂O_10-13

Group

Optimum 3 solvents

KMD

H/C

O/C

DBE

Unique heteroatom classes

3:1 AcN:H₂O

819–1111

0.24–0.46

1.3–2.1

0.01–0.4

0–28

O_4-15, N₂O_10-18, N₄O_6-13, N₅O_6-8, S₁O_10-15, S₁N₃, S₁N₅O_3-13

1:3 AcN:H₂O

1:1 acetone:H₂O

1:1 AcN:H₂O

364–677

0.24–0.5

0.5–2.5

0.02–1.2

0–25

S₁N₂O_10-13