MassBank Record: MSBNK-Keio_Univ-KO001060
ACCESSION: MSBNK-Keio_Univ-KO001060
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00si-9000000000-ab84834165378c289367
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
40.800 19802.0 111
42.100 34653.5 194
55.000 39604.0 222
56.900 19802.0 111
65.900 133663.5 749
67.900 54455.5 305
71.000 118812.0 666
72.600 44554.5 250
82.200 178218.0 999
84.300 118812.0 666
130.400 24752.5 139
//