MassBank Record: KO002186



 Amantadine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002186
RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-002u-9600000000-048cdcfd022184f574b6 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 41.000 326733.0 5 43.100 267327.0 4 45.100 4207925.0 61 53.100 64356.5 1 55.200 3212874.5 47 56.400 29703.0 1 57.100 99010.0 1 59.200 440594.5 6 65.000 361386.5 5 67.000 11306942.0 165 69.200 2747527.5 40 71.300 39604.0 1 73.000 282178.5 4 76.900 10792090.0 157 79.100 42618854.5 621 81.100 15425758.0 225 91.000 13930707.0 203 92.300 103960.5 2 93.100 40133703.5 585 94.300 465347.0 7 94.900 1470298.5 21 99.000 19802.0 1 102.900 44554.5 1 103.300 9901.0 1 105.100 2440596.5 36 105.600 108911.0 2 107.200 30351515.5 442 109.200 257426.0 4 119.400 267327.0 4 120.000 59406.0 1 133.200 569307.5 8 135.100 68569375.5 999 //