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5-F-Cumyl-P7AICA MS3_2
SpectraBase Compound ID 2Gp3l3gSj3R
InChI InChI=1S/C13H15N3O/c1-2-3-4-8-16-9-11(12(14)17)10-6-5-7-15-13(10)16/h5-7,9H,1-4,8H2,(H-,14,17)/p+1
InChIKey NZKAEWBLAFXQAS-UHFFFAOYSA-O
Mol Weight 230.29 g/mol
Molecular Formula C13H16N3O
Exact Mass 230.129337 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9UVCg7aXj6
Name 5-F-Cumyl-P7AICA MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C13H15N3O/c1-2-3-4-8-16-9-11(12(14)17)10-6-5-7-15-13(10)16/h5-7,9H,1-4,8H2,(H-,14,17)/p+1
InChIKey NZKAEWBLAFXQAS-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES NC(C=1C2=C(N=CC=C2)N(C1)CCCC[CH2+])=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS