MassBank Record: MSBNK-Keio_Univ-KO003114
ACCESSION: MSBNK-Keio_Univ-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
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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$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
//
system version 2.2.6-SNAPSHOT