| SpectraBase Spectrum ID |
GXY0FNRwSyO |
| Name |
PCMEA artifact (phenylcyclohexene) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 159.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H14 |
| InChI |
InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2 |
| InChIKey |
WCMSFBRREKZZFL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1C(=CCCC1)C1=CC=CC=C1 |
| 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 |
