| SpectraBase Spectrum ID |
33AhF5p5OX8 |
| Name |
Hexoprenaline |
| CAS Registry Number |
3215-70-1 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
420.226036752 u |
| Formula |
C22H32N2O6 |
| InChI |
InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2 |
| InChIKey |
OXLZNBCNGJWPRV-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
420.506 g/mol |
| Nominal Mass |
420 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
421.233 |
| SMILES |
OC(C1=CC(=C(O)C=C1)O)CNCCCCCCNCC(C1=CC(=C(O)C=C1)O)O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_409.5 |
