SpectraBase Spectrum ID |
4wdtOIMlAe |
Name |
Mannitol 6TFA |
Classification |
Laxative |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
757.972832620 u |
Formula |
C18H8F18O12 |
InChI |
InChI=1S/C18H8F18O12/c19-13(20,21)7(37)43-1-3(45-9(39)15(25,26)27)5(47-11(41)17(31,32)33)6(48-12(42)18(34,35)36)4(46-10(40)16(28,29)30)2-44-8(38)14(22,23)24/h3-6H,1-2H2 |
InChIKey |
KHPSGAMQGNMDJO-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
758.221 g/mol |
SMILES |
C(C(OC(C(F)(F)F)=O)C(OC(C(F)(F)F)=O)COC(C(F)(F)F)=O)(OC(C(F)(F)F)=O)C(OC(C(F)(F)F)=O)COC(C(F)(F)F)=O |
SPLASH |
splash10-066u-7930000000-f613b48c938c43758a01 |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_5800 |