| SpectraBase Compound ID | I30E7xQGuuQ |
|---|---|
| InChI | InChI=1S/C44H14F56O19/c45-21(46,29(61,62)37(77,78)79)13(101)109-1-3-5(7(115-16(104)24(51,52)32(67,68)40(86,87)88)10(118-19(107)27(57,58)35(73,74)43(95,96)97)12(112-3)119-20(108)28(59,60)36(75,76)44(98,99)100)113-11-9(117-18(106)26(55,56)34(71,72)42(92,93)94)8(116-17(105)25(53,54)33(69,70)41(89,90)91)6(114-15(103)23(49,50)31(65,66)39(83,84)85)4(111-11)2-110-14(102)22(47,48)30(63,64)38(80,81)82/h3-12H,1-2H2 |
| InChIKey | FQWYWVZFLVDWHR-UHFFFAOYSA-N |
| Mol Weight | 1910.5 g/mol |
| Molecular Formula | C44H14F56O19 |
| Exact Mass | 1909.923505 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8UQiyF1kVZh |
|---|---|
| Name | Lactose 8HFB |
| Classification | Sugar |
| Copyright | Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 1909.923505340 u |
| Formula | C44H14F56O19 |
| InChI | InChI=1S/C44H14F56O19/c45-21(46,29(61,62)37(77,78)79)13(101)109-1-3-5(7(115-16(104)24(51,52)32(67,68)40(86,87)88)10(118-19(107)27(57,58)35(73,74)43(95,96)97)12(112-3)119-20(108)28(59,60)36(75,76)44(98,99)100)113-11-9(117-18(106)26(55,56)34(71,72)42(92,93)94)8(116-17(105)25(53,54)33(69,70)41(89,90)91)6(114-15(103)23(49,50)31(65,66)39(83,84)85)4(111-11)2-110-14(102)22(47,48)30(63,64)38(80,81)82/h3-12H,1-2H2 |
| InChIKey | FQWYWVZFLVDWHR-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 1910.488 g/mol |
| SMILES | C1(C(C(C(OC1OC1C(C(C(OC1COC(C(F)(F)C(F)(F)C(F)(F)F)=O)OC(C(F)(F)C(C(F)(F)F)(F)F)=O)OC(C(F)(C(F)(C(F)(F)F)F)F)=O)OC(C(F)(C(C(F)(F)F)(F)F)F)=O)COC(C(F)(F)C(F)(F)C(F)(F)F)=O)OC(C(F)(F)C(F)(F)C(F)(F)F)=O)OC(C(F)(F)C(F)(C(F)(F)F)F)=O)OC(C(F)(C(C(F)(F)F)(F)F)F)=O |
| SPLASH | splash10-014i-9851010000-0dd5739e5f6e6c3b64de |
| 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_5787 |