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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)

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
CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022117

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
//

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