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MassBank Record: KO001059

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: KO001059
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-9800000000-f4ffaecec87140e53d68
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  44.800 49505.0 28
  53.800 34653.5 20
  57.200 94059.5 53
  57.500 44554.5 25
  65.800 84158.5 48
  68.000 272277.5 155
  70.700 306931.0 174
  72.900 222772.5 127
  82.300 445545.0 253
  84.000 841585.0 478
  85.900 49505.0 28
  112.300 410891.5 234
  128.100 54455.5 31
  130.100 1757427.5 999
//

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