MassBank Record: KO002185



 Amantadine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002185
RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-1900000000-76e73b05fc9ac0bdc170 PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 29.900 19802.0 1 40.800 108911.0 1 43.100 143564.5 1 45.000 6727729.5 23 55.100 405941.0 1 55.900 34653.5 1 57.300 74257.5 1 59.100 1886140.5 6 65.100 49505.0 1 67.000 3678221.5 12 69.000 955446.5 3 71.000 252475.5 1 73.100 4534658.0 15 73.900 79208.0 1 77.200 737624.5 2 79.000 14113875.5 47 81.100 4485153.0 15 84.300 19802.0 1 88.000 99010.0 1 88.900 440594.5 1 90.900 2059408.0 7 91.800 79208.0 1 93.100 20891110.0 70 94.200 79208.0 1 94.900 158416.0 1 99.000 24752.5 1 104.900 321782.5 1 107.000 23024775.5 77 109.400 54455.5 1 118.900 59406.0 1 119.800 49505.0 1 133.000 504951.0 2 135.200 298104258.5 999 148.400 14851.5 1 152.200 5925748.5 20 214.800 44554.5 1 //