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MassBank Record: PT202030

DL-Dapm, DL-2,6-Diaminoheptanedioic acid, 2,6-diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT202030
RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, 2,6-diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: DL-Dapm
CH$NAME: DL-2,6-Diaminoheptanedioic acid
CH$NAME: 2,6-diaminoheptanedioic acid
CH$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: INCHIKEY GMKMEZVLHJARHF-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 189.08755

PK$SPLASH: splash10-000i-0900000000-aec6e516025d8d0be106
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  111.046 29.9 124
  127.0871 22.05 92
  128.0717 93.67 390
  171.0763 44.21 184
  189.0876 240.2 999
//

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