ACCESSION: MSBNK-RIKEN_ReSpect-PS049901
RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine 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, A8784.
COMMENT: PRIMe compound in-house ID H0096
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$NAME: Acetylputrescine
CH$NAME: N-(4-aminobutyl)acetamide
CH$NAME: N-acetyl putrescine hydrochloride
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Polyamine CLASS3 Putrescine
CH$FORMULA: C₆H₁₄N₂O
CH$EXACT_MASS: 130.191
CH$SMILES: CC(=O)NCCCCN
CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
CH$LINK: CAS 18233-70-0
CH$LINK: KEGG C02714
CH$LINK: PUBCHEM CID:122356
CH$LINK: INCHIKEY KLZGKIDSEJWEDW-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 131.16

PK$SPLASH: splash10-001i-0900000000-d764114ec98696db5e77
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
114.0 253186.0 189
131.0 1340948.0 999
//