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MassBank Record: KO001087

5-Hydroxylysine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001087
RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-03di-0900000000-4e7c55adcea6e487da3a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  44.800 74257.5 5
  57.900 148515.0 11
  59.000 113861.5 8
  71.900 341584.5 25
  73.900 84158.5 6
  82.000 29703.0 2
  84.000 475248.0 35
  85.200 64356.5 5
  86.200 79208.0 6
  87.300 54455.5 4
  95.500 24752.5 2
  96.900 836634.5 62
  97.600 128713.0 9
  99.000 39604.0 3
  101.000 1054456.5 78
  102.100 272277.5 20
  107.700 69307.0 5
  112.800 54455.5 4
  113.900 445545.0 33
  115.300 2866339.5 211
  117.100 138614.0 10
  125.300 1069308.0 79
  125.900 212871.5 16
  141.200 970298.0 72
  142.900 3069310.0 226
  159.000 470297.5 35
  159.600 19802.0 1
  161.300 13549518.5 999
//

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