| SpectraBase Spectrum ID |
Io41za9HHB2 |
| Name |
beta-Hydroxyphenylalanine |
| CAS Registry Number |
69-96-5 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
181.073893215 u |
| Formula |
C9H11NO3 |
| InChI |
InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m0/s1 |
| InChIKey |
VHVGNTVUSQUXPS-YUMQZZPRSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
181.191 g/mol |
| Nominal Mass |
181 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
182.081 |
| SMILES |
O[C@]([C@@](C(O)=O)(N)[H])(C1=CC=CC=C1)[H] |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2S,3S)-2-amino-3-hydroxy-3-phenylpropanoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_747.5 |
