MassBank Record: MSBNK-Keio_Univ-KO003113
ACCESSION: MSBNK-Keio_Univ-KO003113
RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:10 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lr-2900000000-8a27a0c8ea6ff749a2cd
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
36.200 74257.5 1
50.000 3049508.0 54
63.900 163366.5 3
68.100 282178.5 5
69.200 1905942.5 34
70.800 59406.0 1
74.000 2361388.5 42
76.800 69307.0 1
78.400 1757427.5 31
81.800 133663.5 2
83.000 89109.0 2
83.800 29703.0 1
84.300 29703.0 1
86.200 12698032.5 225
93.000 49505.0 1
96.100 29703.0 1
97.000 445545.0 8
99.900 1386140.0 25
102.800 29703.0 1
114.000 237624.0 4
115.300 51826784.5 919
131.900 56356492.0 999
133.000 113861.5 2
//