| SpectraBase Spectrum ID |
KZUn6vlkv8R |
| Name |
Isometheptene |
| CAS Registry Number |
503-01-5 |
| Collision Energy |
10 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
141.151749616 u |
| Formula |
C9H19N |
| InChI |
InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3 |
| InChIKey |
XVQUOJBERHHONY-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
141.258 g/mol |
| Nominal Mass |
141 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
142.159 |
| SMILES |
N(C(CCC=C(C)C)C)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
N,6-dimethylhept-5-en-2-amine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_445.1 |
