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$EXACT_MASS: 151.13609999999999899955582804977893829345703125
CH$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.
  40.700 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
//