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MassBank Record: KO001088

5-Hydroxylysine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO001088
RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0i6v-6900000000-9436de6861669f1e77e2
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  44.900 59406.0 128
  54.500 24752.5 53
  57.800 49505.0 106
  58.200 123762.5 266
  64.900 24752.5 53
  67.700 9901.0 21
  70.100 39604.0 85
  71.900 54455.5 117
  74.200 237624.0 510
  80.300 29703.0 64
  81.700 54455.5 117
  84.200 143564.5 308
  85.200 74257.5 159
  86.200 49505.0 106
  97.100 262376.5 563
  98.100 54455.5 117
  101.400 163366.5 351
  101.800 212871.5 457
  107.800 19802.0 43
  112.300 39604.0 85
  113.300 24752.5 53
  114.500 59406.0 128
  115.300 465347.0 999
  124.900 74257.5 159
  126.000 49505.0 106
  141.000 163366.5 351
  142.900 207921.0 446
  159.100 34653.5 74
  161.200 311881.5 670
//

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