| SpectraBase Spectrum ID |
CO0VujsqIFI |
| Name |
2C-I-Fly MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 332.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H14INO2 |
| InChI |
InChI=1S/C12H19NO3/c1-9(2)13-7-10(14)8-16-12-6-4-3-5-11(12)15/h3-6,9-10,13-15H,7-8H2,1-2H3/q+1 |
| InChIKey |
PNMXMIJVLMVICD-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[OH2+]C1=C(OCC(CNC(C)C)O)C=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 |
