MassBank Record: KO003382



 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003382
RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M034

CH$NAME: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine CH$NAME: MPTP CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C12H15N CH$EXACT_MASS: 173.12045 CH$SMILES: CN(C2)CC=C(C2)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3 CH$LINK: CAS 28289-54-5 CH$LINK: CHEBI 17963 CH$LINK: KEGG C04599 CH$LINK: NIKKAJI J22.909A CH$LINK: PUBCHEM SID:7196 CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0900000000-3351a897391b4710ffee PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 44.100 519802.5 4 50.200 44554.5 1 70.600 14851.5 1 74.100 252475.5 2 74.800 69307.0 1 75.300 19802.0 1 78.000 638614.5 5 81.200 69307.0 1 83.000 34653.5 1 85.300 44554.5 1 92.100 24752.5 1 95.400 24752.5 1 97.100 133663.5 1 98.500 64356.5 1 106.100 64356.5 1 111.000 59406.0 1 114.400 143564.5 1 121.100 79208.0 1 139.200 955446.5 7 141.700 123762.5 1 156.500 331683.5 2 157.100 14975262.5 106 174.200 141049646.0 999 175.100 39604.0 1 //