| SpectraBase Compound ID | IM8SEykJrmA |
|---|---|
| InChI | InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17?,18?,19-,20+,22?/m1/s1 |
| InChIKey | YBCNXCRZPWQOBR-ONLXDFOUSA-N |
| Mol Weight | 360.47 g/mol |
| Molecular Formula | C21H30NO4 |
| Exact Mass | 360.217483 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | LYAhr4uHBba |
|---|---|
| Name | Butylscopolammonium |
| CAS Registry Number | 7182-53-8 |
| Collision Energy | 30 eV |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass | 360.217483446 u |
| Formula | C21H30NO4 |
| InChI | InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17?,18?,19-,20+,22?/m1/s1 |
| InChIKey | YBCNXCRZPWQOBR-ONLXDFOUSA-N |
| Instrument Name | QStar XL, AB Sciex |
| Ion Polarity | P |
| Ionization Type | ESI+ |
| Molecular Weight | 360.474 g/mol |
| Nominal Mass | 360 u |
| Precursor Ion | [M]+ |
| Precursor m/z | 360.217 |
| SMILES | OC[C@@](C(O[C@]1(C[C@@]2([N@@+]([C@@]([C@]3(O[C@@]23[H])[H])(C1)[H])(CCCC)C)[H])[H])=O)(C1=CC=CC=C1)[H] |
| Selected Ion Charge | 1 |
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type | ms2 |
| Technique | Q-TOF |
| Wiley ID | MSforID_+_150.14 |