MassBank Record: KO002187



 Amantadine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002187
RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004l-9000000000-8bc5ffed5487b0edffaf PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 39.300 103960.5 4 40.900 638614.5 26 43.200 158416.0 6 45.000 1326734.0 54 51.000 113861.5 5 53.300 232673.5 10 55.100 2574260.0 105 56.400 19802.0 1 65.100 950496.0 39 65.900 118812.0 5 67.100 7049512.0 288 69.200 1242575.5 51 77.000 21876259.5 895 78.100 316832.0 13 79.000 24410915.5 999 81.100 8113869.5 332 85.200 24752.5 1 91.200 13386152.0 548 91.700 113861.5 5 93.200 10564367.0 432 94.100 202970.5 8 95.300 1985150.5 81 103.200 108911.0 4 105.300 1792081.0 73 107.300 4668321.5 191 109.200 163366.5 7 115.300 39604.0 2 119.200 84158.5 3 133.100 99010.0 4 133.300 74257.5 3 135.400 3252478.5 133 //