ACCESSION: MSBNK-RIKEN_ReSpect-PS017002
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 20

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

PK$SPLASH: splash10-0f79-0900000000-d7fcaa2620a1a68d1d5c
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  134.0 57970.0 37
  135.0 1579119.0 999
  151.0 123061.0 78
  152.0 857612.0 543
//