| SpectraBase Spectrum ID |
Cvja9hMJxaJ |
| Name |
Mannitol 6PFP |
| Classification |
Laxative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
1057.953670576 u |
| Formula |
C24H8F30O12 |
| InChI |
InChI=1S/C24H8F30O12/c25-13(26,19(37,38)39)7(55)61-1-3(63-9(57)15(29,30)21(43,44)45)5(65-11(59)17(33,34)23(49,50)51)6(66-12(60)18(35,36)24(52,53)54)4(64-10(58)16(31,32)22(46,47)48)2-62-8(56)14(27,28)20(40,41)42/h3-6H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| InChIKey |
FDDASCQIELIGPU-KVTDHHQDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
1058.268 g/mol |
| SMILES |
C(C(O[C@@]([C@](OC(C(C(F)(F)F)(F)F)=O)([C@](OC(C(C(F)(F)F)(F)F)=O)(COC(C(C(F)(F)F)(F)F)=O)[H])[H])([C@](OC(C(C(F)(F)F)(F)F)=O)(COC(C(C(F)(F)F)(F)F)=O)[H])[H])=O)(C(F)(F)F)(F)F |
| SPLASH |
splash10-066r-9740000000-ca6658ef515f72501c11 |
| 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_5801 |
