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MassBank Record: MSBNK-RIKEN_ReSpect-PT209710

DL-5-Hydroxylysine hydrochloride, 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxycaproic acid, 2,6-diamino-5-hydroxyhexanoic acid, 2,6-Diamino-5-hydroxyhexanoic acid ; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT209710
RECORD_TITLE: DL-5-Hydroxylysine hydrochloride, 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxycaproic acid, 2,6-diamino-5-hydroxyhexanoic acid, 2,6-Diamino-5-hydroxyhexanoic acid ; LC-ESI-QTOF; MS2
DATE: 2008.07.29
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$NAME: DL-5-Hydroxylysine hydrochloride
CH$NAME: 5-Hydroxy-Lys
CH$NAME: 2,6-Diamino-5-hydroxycaproic acid
CH$NAME: 2,6-diamino-5-hydroxyhexanoic acid
CH$NAME: 2,6-Diamino-5-hydroxyhexanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Lysine
CH$FORMULA: C6H14N2O3
CH$EXACT_MASS: 162.189
CH$SMILES: C(CC(C(=O)O)N)C(CN)O
CH$IUPAC: InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)
CH$LINK: CAS 1190-94-9
CH$LINK: INCHIKEY YSMODUONRAFBET-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 161.09264

PK$SPLASH: splash10-03di-0900000000-19686967ee32b3e868fb
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  115.0874 26.8 111
  125.0718 13.79 57
  143.0823 33.25 138
  143.8905 41.62 173
  160.843 36.64 152
  160.8926 98.87 411
  161.0926 240.6 999
//

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