ACCESSION: MSBNK-RIKEN_ReSpect-PS017004
RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, A1260.
COMMENT: PRIMe compound in-house ID 170
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: 1-Adamantylamine hydrochloride
CH$NAME: Tricyclodecane Hydrochloride
CH$NAME: Virasol
CH$NAME: Amantadine hydrochloride
CH$NAME: Amazolon
CH$NAME: 1-Aminoadamantane hydrochloride
CH$NAME: Symmetrel
CH$NAME: Mantadine
CH$NAME: Midantan
CH$NAME: Mantadix
CH$NAME: Virofral
CH$NAME: 1-Adamantanamine hydrochloride
CH$NAME: Symadine
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Other CLASS3 Amantadine
CH$FORMULA: C₁₀H₁₇N
CH$EXACT_MASS: 151.253
CH$SMILES: C1C2CC3CC1CC(C2)(C3)N
CH$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: KEGG C06818
CH$LINK: PUBCHEM CID:2130
CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 152.22

PK$SPLASH: splash10-003i-9600000000-851d9327386f1d8ec7db
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41.0 4031.0 71
  54.0 2578.0 46
  55.0 9804.0 173
  67.0 11159.0 197
  69.0 3063.0 54
  76.0 1711.0 30
  77.0 7223.0 128
  78.0 7221.0 128
  79.0 31358.0 554
  80.0 1829.0 32
  81.0 15505.0 274
  91.0 7170.0 127
  92.0 6619.0 117
  93.0 26715.0 472
  106.0 2709.0 48
  107.0 12185.0 215
  131.0 1723.0 30
  132.0 2353.0 42
  133.0 4521.0 80
  134.0 19587.0 346
  135.0 56532.0 999
  136.0 1714.0 30
//