MassBank Record: KO003116



 cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003116
RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-9000000000-192acde8a9c7c6b2c489 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 18.400 39604.0 6 39.000 54455.5 8 41.100 683169.0 104 42.000 306931.0 47 55.100 173267.5 26 56.500 24752.5 4 57.400 39604.0 6 58.100 1128714.0 172 60.400 24752.5 4 66.400 29703.0 5 68.000 6554462.0 999 68.900 1237625.0 189 70.800 34653.5 5 73.100 34653.5 5 73.900 34653.5 5 86.100 2054457.5 313 100.500 24752.5 4 //