| SpectraBase Spectrum ID |
C6csrqbwg3f |
| Name |
Gestrinone MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-255.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C17H21O/c1-3-12-4-8-17-15(11(12)2)7-5-13-10-14(18)6-9-16(13)17/h4,10-11,15H,2-3,5-9H2,1H3/q+1 |
| InChIKey |
RVYOMUBFGADCBB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH2+]C1C2CCC=3C(=C2CC=C1CC)CCC(C3)=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 |
