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4-Methylthioamphetamine
SpectraBase Compound ID KAttJdPmPy6
InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
InChIKey OLEWMKVPSUCNLG-UHFFFAOYSA-N
Mol Weight 181.3 g/mol
Molecular Formula C10H15NS
Exact Mass 181.092521 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7xIm2xSaYzk
Name 4-Methyl-thioamphetamine ##
CAS Registry Number 14116-06-4
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-205.00]
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Formula C10H15NS
InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
InChIKey OLEWMKVPSUCNLG-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES NC(CC1=CC=C(C=C1)SC)C
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