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3-methyl PCP
SpectraBase Compound ID DcgACgpGL1z
InChI InChI=1S/C18H27N/c1-16-9-8-10-17(15-16)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3
InChIKey BMFKUCGCXMDGBK-UHFFFAOYSA-N
Mol Weight 257.42 g/mol
Molecular Formula C18H27N
Exact Mass 257.21435 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JxTbZs3jLlt
Name 3-Me-PCP ##
CAS Registry Number 72242-03-6
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-280.00]
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Formula C18H27N
InChI InChI=1S/C18H27N/c1-16-9-8-10-17(15-16)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3
InChIKey BMFKUCGCXMDGBK-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C1N(CCCC1)C1(C=2C=CC=C(C2)C)CCCCC1
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