| SpectraBase Spectrum ID |
9KvAjUFIUNe |
| Name |
Fragment of N-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine |
| CAS Registry Number |
135795-90-3 |
| Collision Energy |
25 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
177.091554657 u |
| Formula |
C11H13O2 |
| InChI |
InChI=1S/C11H13O2/c1-2-3-4-9-5-6-10-11(7-9)13-8-12-10/h3,5-7H,2,4,8H2,1H3/q+1 |
| InChIKey |
MJRUDTRQHRJWHM-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
177.223 g/mol |
| Nominal Mass |
177 u |
| Precursor Ion |
[M]+ |
| Precursor m/z |
177.091 |
| SMILES |
[CH+](CC1=CC=2OCOC2C=C1)CC |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_503.4 |
