ACCESSION: MSBNK-Keio_Univ-KO003136
RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:40 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: 5-Hydroxy-L-lysine
CH$NAME: Procollagen 5-hydroxy-L-lysine
CH$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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 163
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-9100000000-e79d60aa6a15649da5fc
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  44.100 133663.5 19
  45.600 69307.0 10
  46.100 415842.0 58
  53.300 49505.0 7
  54.100 79208.0 11
  55.200 7158423.0 999
  56.200 5336639.0 745
  57.200 168317.0 23
  58.100 5173272.5 722
  59.200 5232678.5 730
  65.100 188119.0 26
  66.900 559406.5 78
  69.200 118812.0 17
  70.100 381188.5 53
  72.000 59406.0 8
  73.900 1148516.0 160
  78.800 39604.0 6
  79.900 435644.0 61
  82.100 4386143.0 612
  83.500 376238.0 53
  84.100 643565.0 90
  90.800 34653.5 5
  96.300 14851.5 2
  98.800 34653.5 5
  100.100 272277.5 38
  100.500 44554.5 6
  101.800 19802.0 3
  102.200 24752.5 3
  116.700 69307.0 10
  118.200 4693074.0 655
  120.400 24752.5 3
  127.900 178218.0 25
  130.100 49505.0 7
//