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MassBank Record: KO001058

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: KO001058
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$EXACT_MASS: 131.05824
CH$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 20 V

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

PK$SPLASH: splash10-004i-1900000000-02d8e1c3f73ac18ecfde
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  57.300 44554.5 2
  58.200 59406.0 2
  65.800 183168.5 7
  68.000 415842.0 17
  71.000 306931.0 12
  72.900 376238.0 15
  82.500 262376.5 11
  84.200 2168319.0 88
  86.100 69307.0 3
  99.000 54455.5 2
  110.100 19802.0 1
  112.200 1787130.5 72
  128.000 292079.5 12
  128.800 19802.0 1
  129.900 24742599.0 999
//

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