ACCESSION: MSBNK-RIKEN_ReSpect-PS004402
RECORD_TITLE: 1,5-Diaminopentane, 1,5-Pentanediamine, Cadaverine, Pentamethylenediamine; 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 Nacalai-T, 06521-71.
COMMENT: PRIMe compound in-house ID 44
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$NAME: 1,5-Diaminopentane
CH$NAME: 1,5-Pentanediamine
CH$NAME: Cadaverine
CH$NAME: Pentamethylenediamine
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Polyamine CLASS3 Cadaverine
CH$FORMULA: C₅H₁₄N₂
CH$EXACT_MASS: 102.181
CH$SMILES: C(CCN)CCN
CH$IUPAC: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
CH$LINK: CAS 462-94-2
CH$LINK: KEGG C01672
CH$LINK: PUBCHEM CID:273
CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5075448

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 103.15

PK$SPLASH: splash10-000i-9000000000-a9301a29e8e716e6322e
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  29.0 8894.0 78
  30.0 8734.0 76
  85.0 13898.0 121
  86.0 114618.0 999
//