SpectraBase Spectrum ID |
CQ3zZlICBnT |
Name |
2C-T-7-M (HO-ring) |
Collision Gas |
N2 |
Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-295.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C13H21NO3S |
InChI |
InChI=1S/C13H21NO3S/c1-4-7-18-13-10(16-2)8-9(5-6-14)12(17-3)11(13)15/h8,15H,4-7,14H2,1-3H3 |
InChIKey |
RJZFWHSBNDDSAD-UHFFFAOYSA-N |
Inlet Type |
UHPLC |
Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
Ion Polarity |
P |
Ionization Type |
HESI |
Precursor Ion |
[M+H]+ |
SMILES |
OC1=C(C(=CC(CCN)=C1OC)OC)SCCC |
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 |