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Carteolol-M (HO-) MS3_1
SpectraBase Compound ID 9mRTB2B1voC
InChI InChI=1S/C12H16N2O4/c13-5-7(15)6-18-10-3-2-9(16)12-8(10)1-4-11(17)14-12/h2-3,7,15-16H,1,4-6,13H2,(H,14,17)/p+1
InChIKey GWVIEODZTKMGER-UHFFFAOYSA-O
Mol Weight 253.28 g/mol
Molecular Formula C12H17N2O4
Exact Mass 253.118832 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7ABVIlTe9g
Name Carteolol-M (HO-) MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-265.00]
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InChI InChI=1S/C12H16N2O4/c13-5-7(15)6-18-10-3-2-9(16)12-8(10)1-4-11(17)14-12/h2-3,7,15-16H,1,4-6,13H2,(H,14,17)/p+1
InChIKey GWVIEODZTKMGER-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]CC(COC=1C2=C(C(=CC1)O)NC(CC2)=O)O
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