MassBank Record: KO003114



 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) \n

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$EXACT_MASS: 131.05824 CH$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
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 //