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$EXACT_MASS: 151.13609999999999899955582804977893829345703125
CH$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 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.
  44.700 24752.5 1
  59.000 1103961.5 2
  73.000 5133668.5 10
  77.200 207921.0 1
  81.300 24752.5 1
  83.900 29703.0 1
  88.200 2797032.5 5
  89.100 4693074.0 9
  91.100 94059.5 1
  92.400 39604.0 1
  93.300 34653.5 1
  95.100 9901.0 1
  98.900 123762.5 1
  105.900 64356.5 1
  107.100 227723.0 1
  116.200 64356.5 1
  117.000 5856441.5 11
  120.100 965347.5 2
  134.100 89109.0 1
  135.100 163584322.0 308
  152.300 530267857.0 999
  170.200 59406.0 1
  265.200 9901.0 1
//