ACCESSION: MSBNK-RIKEN_ReSpect-PS065001
RECORD_TITLE: Dimethylphenylamine, Dimethylaminobenzene, N,N-Dimethylbenzenamine, N,N-Dimethylphenylamine, N,N-Dimethylaniline; 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 Wako, 044-02763.
COMMENT: PRIMe compound in-house ID S0037
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$NAME: Dimethylphenylamine
CH$NAME: Dimethylaminobenzene
CH$NAME: N,N-Dimethylbenzenamine
CH$NAME: N,N-Dimethylphenylamine
CH$NAME: N,N-Dimethylaniline
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Aniline
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.183
CH$SMILES: CN(C)C1=CC=CC=C1
CH$IUPAC: InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
CH$LINK: CAS 121-69-7
CH$LINK: KEGG C02846
CH$LINK: PUBCHEM CID:949
CH$LINK: INCHIKEY JLTDJTHDQAWBAV-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 122.13

PK$SPLASH: splash10-00di-0900000000-e7337584a3048af42d78
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
121.0 94271.0 47
122.0 2011726.0 999
//