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MassBank Record: MT000035

trans-4-Hydroxy-L-proline; LC-ESI-IT; MS2; m/z: 132.1; [M+H]+

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

ACCESSION: MT000035
RECORD_TITLE: trans-4-Hydroxy-L-proline; LC-ESI-IT; MS2; m/z: 132.1; [M+H]+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: trans-4-Hydroxy-L-proline
CH$NAME: trans-4-hydroxyproline
CH$COMPOUND_CLASS: Natural Product
CH$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$LINK: HMDB HMDB00725
CH$LINK: KEGG C01157
CH$LINK: INCHIKEY PMMYEEVYMWASQN-DMTCNVIQSA-N
CH$LINK: COMPTOX DTXSID10883225

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 132.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-000i-9000000000-6d125b0bb59101e9ce53
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  68.2 2.6 26
  72.2 0.9 9
  86.1 100.0 999
  87.1 2.5 25
  95.3 0.2 2
  96.0 0.7 7
  100.1 0.1 1
  113.1 0.4 4
  114.1 5.3 53
  115.2 0.2 2
  132.1 1.2 12
  133.1 0.1 1
//

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