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MassBank Record: MSBNK-RIKEN-PR100208

trans-4-Hydroxy-L-proline; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN-PR100208
RECORD_TITLE: trans-4-Hydroxy-L-proline; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: trans-4-Hydroxy-L-proline
CH$NAME: Hyp
CH$NAME: Hypro
CH$NAME: (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid
CH$NAME: Oxaceprol
CH$COMPOUND_CLASS: Carboxylic acids
CH$FORMULA: C5H9NO3
CH$EXACT_MASS: 131.05824
CH$SMILES: [H]C(O)(C1)CC([H])(N1)C(O)=O
CH$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$LINK: CAS 51-35-4
CH$LINK: CHEMSPIDER 5605
CH$LINK: KAPPAVIEW KPC00662
CH$LINK: KEGG C01157
CH$LINK: KNAPSACK C00001370
CH$LINK: PUBCHEM CID:5810
CH$LINK: INCHIKEY PMMYEEVYMWASQN-DMTCNVIQSA-N
CH$LINK: COMPTOX DTXSID10883225

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 132.06604
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0019-9300000000-7228a10f32d447b58ee0
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  68.0504 459.3 356
  86.0604 1289 999
  132.0660 699.8 542
//

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