ACCESSION: MSBNK-Keio_Univ-KO003066
RECORD_TITLE: Hydroxyproline; 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 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 40 V

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

PK$SPLASH: splash10-014i-9000000000-f7d527bb54521981a624
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  11.500 19802.0 3
  38.800 64356.5 10
  41.000 678218.5 104
  42.300 19802.0 3
  45.500 19802.0 3
  55.300 158416.0 24
  58.100 980199.0 150
  59.300 39604.0 6
  68.100 6544561.0 999
  69.300 138614.0 21
  70.900 29703.0 5
  73.000 19802.0 3
  73.700 24752.5 4
  86.100 1742576.0 266
//