MassBank Record: KO003113

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cis-4-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: KO003113
RECORD_TITLE: cis-4-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 H048

CH$NAME: cis-4-Hydroxyproline
CH$NAME: cis-4-Hydroxy-D-proline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO3
CH$EXACT_MASS: 131.05824000000001205989974550902843475341796875
CH$SMILES: O[C@@H](C1)C[C@@H](N1)C(O)=O
CH$IUPAC: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
CH$LINK: CAS 2584-71-6
CH$LINK: CHEBI 16231
CH$LINK: COMPTOX DTXSID20180494
CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N
CH$LINK: KEGG C03440
CH$LINK: NIKKAJI J192.095B
CH$LINK: PUBCHEM SID:6264

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$SPLASH: splash10-00lr-2900000000-8a27a0c8ea6ff749a2cd
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  36.200 74257.5 1
  50.000 3049508.0 54
  63.900 163366.5 3
  68.100 282178.5 5
  69.200 1905942.5 34
  70.800 59406.0 1
  74.000 2361388.5 42
  76.800 69307.0 1
  78.400 1757427.5 31
  81.800 133663.5 2
  83.000 89109.0 2
  83.800 29703.0 1
  84.300 29703.0 1
  86.200 12698032.5 225
  93.000 49505.0 1
  96.100 29703.0 1
  97.000 445545.0 8
  99.900 1386140.0 25
  102.800 29703.0 1
  114.000 237624.0 4
  115.300 51826784.5 919
  131.900 56356492.0 999
  133.000 113861.5 2
//