ACCESSION: MSBNK-RIKEN_ReSpect-PS020304
RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; 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, D1377.
COMMENT: PRIMe compound in-house ID 203
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$NAME: DL-Dapm
CH$NAME: DL-2,6-Diaminoheptanedioic acid
CH$NAME: M-DAP
CH$NAME: DL-alpha,epsilon-Diaminopimelic acid
CH$NAME: DL-2,6-Diaminopimelate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Pimelic acid
CH$FORMULA: C₇H₁₄N₂O₄
CH$EXACT_MASS: 190.199
CH$SMILES: C(CC(C(=O)O)N)CC(C(=O)O)N
CH$IUPAC: InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
CH$LINK: CAS 583-93-7
CH$LINK: KEGG C00666
CH$LINK: PUBCHEM CID:865
CH$LINK: INCHIKEY GMKMEZVLHJARHF-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 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 191.23

PK$SPLASH: splash10-001i-9100000000-fd1659621497d49442f3
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  54.0 7694.0 123
  55.0 29833.0 478
  56.0 18577.0 298
  80.0 2199.0 35
  81.0 17561.0 281
  82.0 62368.0 999
  83.0 7154.0 115
  84.0 13667.0 219
  126.0 2970.0 48
  127.0 7699.0 123
  128.0 16563.0 265
  191.0 2227.0 36
//