MassBank Record: KO002184

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Amantadine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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$EXACT_MASS: 151.1361
CH$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: COMPTOX DTXSID8022117
CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
CH$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.
  40.7 49505.0 1.0
  45.1 3485150.0 10.0
  55.1 44554.5 1.0
  57.2 103960.0 1.0
  59.1 3940600.0 12.0
  66.6 84158.5 1.0
  69.1 74257.5 1.0
  71.3 262376.0 1.0
  73.1 2.93416E7 88.0
  74.2 173268.0 1.0
  76.9 193070.0 1.0
  79.1 410892.0 1.0
  80.8 123762.0 1.0
  88.3 1123760.0 3.0
  89.1 8618820.0 26.0
  91.0 202970.0 1.0
  93.1 851486.0 3.0
  98.8 113862.0 1.0
  102.1 34653.5 1.0
  107.0 1910890.0 6.0
  117.0 1737630.0 5.0
  120.2 217822.0 1.0
  134.4 292080.0 1.0
  135.1 3.32292E8 999.0
  151.1 39604.0 1.0
  152.3 1.34238E8 404.0
  195.2 9901.0 1.0
  211.3 14851.5 1.0
  217.2 14851.5 1.0
  235.1 14851.5 1.0
//