MassBank Record: KO003383



 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003383
RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 174 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9500000000-a9d11547db39a7521492 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 43.200 24752.5 2 44.000 14485163.0 999 55.300 54455.5 4 56.900 49505.0 3 57.400 14851.5 1 69.000 391089.5 27 70.900 54455.5 4 74.000 183168.5 13 74.900 118812.0 8 78.900 49505.0 3 81.000 138614.0 10 83.100 148515.0 10 93.200 163366.5 11 95.300 113861.5 8 96.900 480198.5 33 97.900 39604.0 3 99.000 1396041.0 96 99.900 54455.5 4 101.100 59406.0 4 111.300 1529704.5 105 113.200 44554.5 3 113.900 89109.0 6 117.100 34653.5 2 118.100 19802.0 1 121.000 341584.5 24 130.500 34653.5 2 139.000 2212873.5 153 157.200 1698021.5 117 174.300 4207925.0 290 //