MassBank Record: MSBNK-Keio_Univ-KO001059
ACCESSION: MSBNK-Keio_Univ-KO001059
RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:30 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9800000000-f4ffaecec87140e53d68
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
44.800 49505.0 28
53.800 34653.5 20
57.200 94059.5 53
57.500 44554.5 25
65.800 84158.5 48
68.000 272277.5 155
70.700 306931.0 174
72.900 222772.5 127
82.300 445545.0 253
84.000 841585.0 478
85.900 49505.0 28
112.300 410891.5 234
128.100 54455.5 31
130.100 1757427.5 999
//
system version 2.2.6-SNAPSHOT