MassBank Record: KO002183

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Amantadine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002183
RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:10 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 152
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0900000000-1a8aac6647f0187ebdf9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  44.7 24752.5 1.0
  59.0 1103960.0 2.0
  73.0 5133670.0 10.0
  77.2 207921.0 1.0
  81.3 24752.5 1.0
  83.9 29703.0 1.0
  88.2 2797030.0 5.0
  89.1 4693070.0 9.0
  91.1 94059.5 1.0
  92.4 39604.0 1.0
  93.3 34653.5 1.0
  95.1 9901.0 1.0
  98.9 123762.0 1.0
  105.9 64356.5 1.0
  107.1 227723.0 1.0
  116.2 64356.5 1.0
  117.0 5856440.0 11.0
  120.1 965348.0 2.0
  134.1 89109.0 1.0
  135.1 1.63584E8 308.0
  152.3 5.30268E8 999.0
  170.2 59406.0 1.0
  265.2 9901.0 1.0
//