ACCESSION: MSBNK-RIKEN_ReSpect-PS032001
RECORD_TITLE: Phenyldiazane, Phenylhydrazine, Hydrazinobenzene; 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 Aldrich, P26252.
COMMENT: PRIMe compound in-house ID 320
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$NAME: Phenyldiazane
CH$NAME: Phenylhydrazine
CH$NAME: Hydrazinobenzene
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Phenylhydrazine
CH$FORMULA: C₆H₈N₂
CH$EXACT_MASS: 108.144
CH$SMILES: C1=CC=C(C=C1)NN
CH$IUPAC: InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
CH$LINK: CAS 100-63-0
CH$LINK: KEGG C02304
CH$LINK: PUBCHEM CID:7516
CH$LINK: INCHIKEY HKOOXMFOFWEVGF-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 109.1

PK$SPLASH: splash10-000i-9000000000-0208d54ffc8d82dd363e
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
88.0 125484.0 999
//