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MassBank Record: KO002186

Amantadine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002186
RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-002u-9600000000-048cdcfd022184f574b6
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  41.000 326733.0 5
  43.100 267327.0 4
  45.100 4207925.0 61
  53.100 64356.5 1
  55.200 3212874.5 47
  56.400 29703.0 1
  57.100 99010.0 1
  59.200 440594.5 6
  65.000 361386.5 5
  67.000 11306942.0 165
  69.200 2747527.5 40
  71.300 39604.0 1
  73.000 282178.5 4
  76.900 10792090.0 157
  79.100 42618854.5 621
  81.100 15425758.0 225
  91.000 13930707.0 203
  92.300 103960.5 2
  93.100 40133703.5 585
  94.300 465347.0 7
  94.900 1470298.5 21
  99.000 19802.0 1
  102.900 44554.5 1
  103.300 9901.0 1
  105.100 2440596.5 36
  105.600 108911.0 2
  107.200 30351515.5 442
  109.200 257426.0 4
  119.400 267327.0 4
  120.000 59406.0 1
  133.200 569307.5 8
  135.100 68569375.5 999
//

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