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MassBank Record: KO001086

5-Hydroxylysine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001086
RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H064

CH$NAME: 5-Hydroxylysine
CH$NAME: Procollagen 5-hydroxy-L-lysine
CH$NAME: 5-Hydroxy-L-lysine
CH$NAME: Procollagen L-erythro-5-hydroxy-L-lysine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14N2O3
CH$EXACT_MASS: 162.10044
CH$SMILES: NCC(O)CC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4?,5-/m0/s1
CH$LINK: CAS 1190-94-9
CH$LINK: CHEBI 18040
CH$LINK: KEGG C01211
CH$LINK: NIKKAJI J38.540I
CH$LINK: PUBCHEM SID:4433
CH$LINK: INCHIKEY YSMODUONRAFBET-AKGZTFGVSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 161
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03di-0900000000-9b2898bf9d7982b6ae09
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  59.000 84158.5 2
  74.700 19802.0 1
  89.000 14851.5 1
  97.200 257426.0 5
  99.900 34653.5 1
  101.100 1856437.5 36
  113.400 29703.0 1
  114.900 257426.0 5
  117.000 44554.5 1
  124.600 133663.5 3
  128.900 19802.0 1
  132.800 9901.0 1
  140.800 34653.5 1
  143.300 490099.5 10
  158.800 54455.5 1
  159.300 19802.0 1
  161.100 51193120.5 999
//

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