ACCESSION: MSBNK-Keio_Univ-KO003064
RECORD_TITLE: Hydroxyproline; 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 H004

CH$NAME: Hydroxyproline
CH$NAME: 4-Hydroxy-L-proline
CH$NAME: L-Hydroxyproline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉NO₃
CH$EXACT_MASS: 131.05824
CH$SMILES: OC(C1)CC(N1)C(O)=O
CH$IUPAC: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1
CH$LINK: CAS 51-35-4
CH$LINK: CHEBI 18240
CH$LINK: KEGG C01015
CH$LINK: NIKKAJI J148.015D
CH$LINK: PUBCHEM SID:4260
CH$LINK: INCHIKEY PMMYEEVYMWASQN-BKLSDQPFSA-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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 132
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9100000000-b2aeae336cfe73f5d96e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  32.200 44554.5 2
  54.900 331683.5 12
  58.100 128713.0 5
  59.900 89109.0 3
  65.300 39604.0 1
  68.100 7950503.0 283
  69.200 702971.0 25
  69.700 34653.5 1
  71.300 64356.5 2
  72.800 217822.0 8
  74.200 89109.0 3
  78.800 24752.5 1
  83.400 84158.5 3
  86.100 28108939.0 999
  87.900 29703.0 1
  95.900 232673.5 8
  97.200 816832.5 29
  100.000 153465.5 5
  114.300 524753.0 19
  115.300 881189.0 31
  132.100 5985154.5 213
//