| SpectraBase Spectrum ID |
G7rWNozIVTj |
| Name |
THJ-018-M (HOOC-) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-400.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H20N2O3 |
| InChI |
InChI=1S/C23H20N2O3/c26-21(27)14-5-6-15-25-20-13-4-3-11-19(20)22(24-25)23(28)18-12-7-9-16-8-1-2-10-17(16)18/h1-4,7-13H,5-6,14-15H2,(H,26,27) |
| InChIKey |
XAOOYUZHRQLPHJ-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC(CCCCN1C=2C=CC=CC2C(=N1)C(=O)C1=C2C(=CC=C1)C=CC=C2)=O |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
