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2C-T-7-M (HO-ring) MS2
SpectraBase Compound ID Dracib5IDvF
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
Mol Weight 271.38 g/mol
Molecular Formula C13H21NO3S
Exact Mass 271.124215 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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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]
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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