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MassBank Record: KO003065

Hydroxyproline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003065
RECORD_TITLE: Hydroxyproline; 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 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 30 V

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

PK$SPLASH: splash10-014r-9000000000-cd33ebf7746baae48364
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.100 386139.0 33
  42.700 24752.5 2
  44.700 14851.5 1
  55.200 331683.5 28
  58.300 777228.5 66
  59.000 163366.5 14
  68.000 11742586.0 999
  69.200 430693.5 37
  73.200 69307.0 6
  73.800 19802.0 2
  78.200 19802.0 2
  80.000 24752.5 2
  83.300 74257.5 6
  86.100 11188130.0 952
  96.900 108911.0 9
  99.900 29703.0 3
  132.100 84158.5 7
//

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