| SpectraBase Spectrum ID |
I3P4CJy2r24 |
| Name |
Pravadoline MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-305.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H18NO2 |
| InChI |
InChI=1S/C19H18NO2/c1-4-20-13(2)18(16-7-5-6-8-17(16)20)19(21)14-9-11-15(22-3)12-10-14/h5-12H,1,4H2,2-3H3/q+1 |
| InChIKey |
AWPNIPCHLSWOKI-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1C(=CC=C(C1)OC)C(C=1C2=CC=CC=C2N(C1C)C[CH2+])=O |
| 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 |
ms3 |
| Technique |
ITMS |
