MassBank Record: MSBNK-Keio_Univ-KO003064
ACCESSION: MSBNK-Keio_Univ-KO003064
RECORD_TITLE: 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 H004
CH$NAME: Hydroxyproline
CH$NAME: 4-Hydroxy-L-proline
CH$NAME: L-Hydroxyproline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO3
CH$EXACT_MASS: 131.05824
CH$SMILES: OC(C1)CC(N1)C(O)=O
CH$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-/m0/s1
CH$LINK: CAS
51-35-4
CH$LINK: CHEBI
18240
CH$LINK: KEGG
C01015
CH$LINK: NIKKAJI
J148.015D
CH$LINK: PUBCHEM
SID:4260
CH$LINK: INCHIKEY
PMMYEEVYMWASQN-BKLSDQPFSA-N
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-b2aeae336cfe73f5d96e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
32.200 44554.5 2
54.900 331683.5 12
58.100 128713.0 5
59.900 89109.0 3
65.300 39604.0 1
68.100 7950503.0 283
69.200 702971.0 25
69.700 34653.5 1
71.300 64356.5 2
72.800 217822.0 8
74.200 89109.0 3
78.800 24752.5 1
83.400 84158.5 3
86.100 28108939.0 999
87.900 29703.0 1
95.900 232673.5 8
97.200 816832.5 29
100.000 153465.5 5
114.300 524753.0 19
115.300 881189.0 31
132.100 5985154.5 213
//