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Zaleplone MS3_1
SpectraBase Compound ID K6waaVFpvV3
InChI InChI=1S/C15H13N5/c1-2-17-13-5-3-4-11(8-13)14-6-7-18-15-12(9-16)10-19-20(14)15/h3-8,10,17H,2H2,1H3/p+1
InChIKey QIBDHPGCTQWVTR-UHFFFAOYSA-O
Mol Weight 264.31 g/mol
Molecular Formula C15H14N5
Exact Mass 264.12492 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3kFpKFt8C9N
Name 5-Hydroxytryptophan MS2
Comments F: ITMS + c ESI d w Full ms2 221.30
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Formula C11H12N2O3
InChI InChI=1S/C15H13N5/c1-2-17-13-5-3-4-11(8-13)14-6-7-18-15-12(9-16)10-19-20(14)15/h3-8,10,17H,2H2,1H3/p+1
InChIKey QIBDHPGCTQWVTR-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH2+](C1=CC(C=2N3C(=C(C#N)C=N3)N=CC2)=CC=C1)CC
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS