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Promethazine-M (HO-) isomer 1 MS3_1
SpectraBase Compound ID hbldL0Yfo6
InChI InChI=1S/C15H13NOS/c1-2-9-16-12-5-3-4-6-14(12)18-15-8-7-11(17)10-13(15)16/h2-8,10H,9H2,1H3/p+1
InChIKey ZNJUDENPZOMXOG-UHFFFAOYSA-O
Mol Weight 256.34 g/mol
Molecular Formula C15H14NOS
Exact Mass 256.07961 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID QvLmp7tpno
Name Promethazine-M (bis-nor-HO-glucuronide) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-270.00]
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InChI InChI=1S/C15H13NOS/c1-2-9-16-12-5-3-4-6-14(12)18-15-8-7-11(17)10-13(15)16/h2-8,10H,9H2,1H3/p+1
InChIKey ZNJUDENPZOMXOG-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC1=CC=2N(C[CH+]C)C3=CC=CC=C3SC2C=C1
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS