ACCESSION: MSBNK-RIKEN-PR100106
RECORD_TITLE: Amantadine; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Amantadine
CH$NAME: 1-Adamantanamine
CH$NAME: 1-Adamantylamine
CH$NAME: 1-Aminoadamantane
CH$NAME: Tricyclodecane
CH$NAME: Amazolon
CH$NAME: Mantadine
CH$NAME: Mantadix
CH$NAME: Midantan
CH$NAME: Symadine
CH$NAME: Symmetrel
CH$NAME: Virofral
CH$NAME: Virasol
CH$COMPOUND_CLASS: Adamantane
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: CHEMSPIDER 2045
CH$LINK: KEGG C06818
CH$LINK: PUBCHEM CID:2130
CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022117

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DATE 2008.07.25
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 152.14389
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udr-0900000000-815d4b207b027466d755
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  135.1189 56.77 895
  152.1095 3.628 57
  152.1439 63.4 999
//