| SpectraBase Spectrum ID |
IdtWsVe7rEI |
| Name |
Ergocalciferol, mono-TMS, peak 1 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
468.378742828 u |
| Formula |
C31H52OSi |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C31H52OSi/c1-22(2)23(3)12-13-25(5)29-18-19-30-26(11-10-20-31(29,30)6)15-16-27-21-28(17-14-24(27)4)32-33(7,8)9/h12-13,15-16,22-23,25,28-30H,4,10-11,14,17-21H2,1-3,5-9H3/b13-12+,26-15+,27-16+ |
| InChIKey |
CNWSYGKNEMIRTJ-GRFWQKLZSA-N |
| Molecular Weight |
468.841 g/mol |
| Nominal Mass |
468 u |
| Number of Peaks |
321 |
| SMILES |
C(\C=C\C(C1C2(C(\C(=C\C=C/3CC(CCC3=C)O[Si](C)(C)C)CCC2)CC1)C)C)(C(C)C)C |
| SPLASH |
splash10-03dr-5925000000-706af5a79dfb5d8ff6b6 |
| Source |
Fluka; Cayman Chemical |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
Vitamin D2, mono-TMS, isomer 1 |
| Wiley ID |
VI000614 |
