ACCESSION: MSBNK-Univ_Connecticut-CO000377
RECORD_TITLE: Pyrilamine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.07.15, modified 2012.11.20)
AUTHORS: Dennis W. Hill, Tzipporah M. Kertesz, Robert Friedman, David F. Grant
LICENSE: CC BY-SA
PUBLICATION: Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra, http://pubs.acs.org/doi/abs/10.1021/ac800548g

CH$NAME: Pyrilamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₃N₃O
CH$EXACT_MASS: 285.18411
CH$SMILES: [H]C([H])([H])Oc(c([H])2)c([H])c([H])c(c([H])2)C([H])([H])N(c(n1)c([H])c([H])c([H])c([H])1)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
CH$IUPAC: InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
CH$LINK: PUBCHEM CID:4992
CH$LINK: INCHIKEY YECBIJXISLIIDS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023542

AC$INSTRUMENT: Micromass Q-TOF II
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 286.19205
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-0920000000-116fdb01e72f6eed832c
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
121.0651 10000 999
241.1334 3015.425 301
//