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MassBank Record: KO003117

cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003117
RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:50 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$EXACT_MASS: 131.05824
CH$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: KEGG C03440
CH$LINK: NIKKAJI J192.095B
CH$LINK: PUBCHEM SID:6264
CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N
CH$LINK: COMPTOX DTXSID20180494

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 50 V

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

PK$SPLASH: splash10-014i-9000000000-b4aa3a18b10939838ee1
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  39.200 158416.0 67
  41.100 544555.0 230
  42.200 118812.0 50
  55.100 54455.5 23
  56.500 34653.5 15
  58.300 311881.5 132
  66.900 44554.5 19
  68.000 2366339.0 999
  69.000 163366.5 69
  76.600 24752.5 10
  86.100 143564.5 61
//

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