| SpectraBase Compound ID | FLa8AsIG9AN |
|---|---|
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18?,22?,24?,27?,28-,31?/m0/s1 |
| InChIKey | QEVHRUUCFGRFIF-BOPJZKRQSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C33H40N2O9 |
| Exact Mass | 608.273381 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 3CBXxKAUrUL |
|---|---|
| Name | Reserpine MS2 |
| CAS Registry Number | 50-55-5 |
| Comments | F: ITMS + c ESI d w Full ms2 609.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C33H40N2O9 |
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18?,22?,24?,27?,28-,31?/m0/s1 |
| InChIKey | QEVHRUUCFGRFIF-BOPJZKRQSA-N |
| Ion Polarity | P |
| Ionization Type | ESI |
| SMILES | N1C=2C3CC4[C@@](C(C(CC4CN3CCC2C2=C1C=C(C=C2)OC)OC(C=1C=C(C(=C(OC)C1)OC)OC)=O)OC)(C(=O)OC)[H] |
| Sample Comments | The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description | Analyte Type: Parent |
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type | ms2 |
| Technique | ITMS |