MassBank Record: MSBNK-Keio_Univ-KO003116
ACCESSION: MSBNK-Keio_Univ-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
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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$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
//