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MassBank Record: MSBNK-RIKEN_ReSpect-PT109710

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-PT109710
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: 2008.07.28
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$NAME: DL-5-Hydroxylysine hydrochloride
CH$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 POSITIVE
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 163.10824

PK$SPLASH: splash10-0059-3900000000-d98bde49828ad017a37f
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  74.0246 48.74 141
  82.0658 273.4 793
  100.0762 116.5 338
  128.0711 344.4 999
  133.0522 68.81 200
  145.0987 79.63 231
  149.0453 45.71 133
  163.063 43.05 125
  163.1082 61.7 179
//

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