MassBank Record: KO003114

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cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003114
RECORD_TITLE: cis-4-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 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 20 V

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

PK$SPLASH: splash10-000i-9100000000-d32d0c50efd21d03683b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41.800 29703.0 1
  50.200 49505.0 1
  55.400 297030.0 8
  58.300 341584.5 9
  59.000 287129.0 7
  68.100 5331688.5 139
  69.100 12856448.5 335
  71.100 138614.0 4
  73.100 257426.0 7
  74.000 4985153.5 130
  78.100 29703.0 1
  83.200 64356.5 2
  85.000 29703.0 1
  86.200 38316870.0 999
  89.000 29703.0 1
  97.300 787129.5 21
  98.400 14851.5 1
  100.000 153465.5 4
  102.900 74257.5 2
  114.400 207921.0 5
  115.300 3113864.5 81
  117.100 89109.0 2
  131.900 3742578.0 98
//