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MassBank Record: KO003115

cis-4-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: KO003115
RECORD_TITLE: cis-4-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 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 30 V

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

PK$SPLASH: splash10-014r-9000000000-6ed30b4b2792abc6d346
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41.200 277228.0 22
  42.000 277228.0 22
  42.800 24752.5 2
  44.900 24752.5 2
  46.700 34653.5 3
  55.100 440594.5 35
  55.600 29703.0 2
  57.100 39604.0 3
  58.100 1089110.0 86
  59.200 193069.5 15
  68.200 11608922.5 921
  69.100 5757431.5 457
  72.600 34653.5 3
  73.900 960397.0 76
  82.900 24752.5 2
  86.200 12589121.5 999
  97.000 79208.0 6
  97.800 34653.5 3
  104.700 14851.5 1
  114.200 44554.5 4
  117.100 69307.0 5
  131.900 128713.0 10
//

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