ACCESSION: MSBNK-RIKEN_ReSpect-PS029601
RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; 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, M9020.
COMMENT: PRIMe compound in-house ID 296
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$NAME: Inversine hydrochloride
CH$NAME: 3-Methylaminoisocamphane hydrochloride
CH$NAME: 2-(Methylamino)isocamphane hydrochloride
CH$NAME: N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride
CH$NAME: Mecamine hydrochloride
CH$NAME: N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride
CH$NAME: Mecamylamine hydrochloride
CH$NAME: Mevasin hydrochloride
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C₁₁H₂₁N
CH$EXACT_MASS: 167.296
CH$SMILES: CC1(C2CCC(C2)C1(C)NC)C
CH$IUPAC: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3
CH$LINK: CAS 60-40-2
CH$LINK: KEGG C07511
CH$LINK: PUBCHEM CID:4032
CH$LINK: INCHIKEY IMYZQPCYWPFTAG-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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 168.28

PK$SPLASH: splash10-014i-2900000000-1105575ea1d680ac115d
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  31.0 104364.0 33
  32.0 793118.0 250
  137.0 669994.0 211
  168.0 3165155.0 999
//