MassBank Record: KO002184



 Amantadine; 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: KO002184
RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A061

CH$NAME: 1-Adamantanamine CH$NAME: Amantadine CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H17N CH$EXACT_MASS: 151.13610 CH$SMILES: NC(C3)(C1)CC(C2)CC(CC23)1 CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2 CH$LINK: CAS 768-94-5 CH$LINK: CHEBI 2618 CH$LINK: KEGG C06818 CH$LINK: NIKKAJI J6.971J CH$LINK: PUBCHEM SID:9036
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 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-88a4152a7398da21333c PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 40.700 49505.0 1 45.100 3485152.0 10 55.100 44554.5 1 57.200 103960.5 1 59.100 3940598.0 12 66.600 84158.5 1 69.100 74257.5 1 71.300 262376.5 1 73.100 29341613.5 88 74.200 173267.5 1 76.900 193069.5 1 79.100 410891.5 1 80.800 123762.5 1 88.300 1123763.5 3 89.100 8618820.5 26 91.000 202970.5 1 93.100 851486.0 3 98.800 113861.5 1 102.100 34653.5 1 107.000 1910893.0 6 117.000 1737625.5 5 120.200 217822.0 1 134.400 292079.5 1 135.100 332292411.5 999 151.100 39604.0 1 152.300 134237758.0 404 195.200 9901.0 1 211.300 14851.5 1 217.200 14851.5 1 235.100 14851.5 1 //