MassBank MassBank Search Contents Download

MassBank Record: KO003063

Hydroxyproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003063
RECORD_TITLE: Hydroxyproline; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-001i-1900000000-091663d1fbe737185a8a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  36.700 34653.5 1
  50.200 1430694.5 25
  63.800 84158.5 1
  68.100 391089.5 7
  70.900 44554.5 1
  73.700 202970.5 3
  78.100 1321783.5 23
  81.900 148515.0 3
  82.400 99010.0 2
  83.500 262376.5 5
  86.200 6509907.5 112
  95.900 94059.5 2
  96.900 529703.5 9
  100.000 683169.0 12
  114.000 455446.0 8
  115.100 6782185.0 116
  130.500 14851.5 1
  131.900 58217880.0 999
  133.100 14851.5 1
  153.200 14851.5 1
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze