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MassBank Record: KO003968

L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003968
RECORD_TITLE: L-Serine; 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 S002

CH$NAME: Ser
CH$NAME: L-2-Amino-3-hydroxypropionic acid
CH$NAME: L-Serine
CH$NAME: L-3-Hydroxy-alanine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7NO3
CH$EXACT_MASS: 105.04259
CH$SMILES: OC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
CH$LINK: CAS 56-45-1
CH$LINK: CHEBI 17115
CH$LINK: CHEMPDB SER
CH$LINK: KEGG C00065
CH$LINK: NIKKAJI J1.195I
CH$LINK: PUBCHEM SID:3365
CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID60883230

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$FOCUSED_ION: PRECURSOR_M/Z 106
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-9000000000-e2ca7435d1b0278f3c4c
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  42.000 118812.0 17
  42.800 39604.0 6
  44.400 113861.5 16
  46.200 2861389.0 411
  60.100 6960403.0 999
  70.200 1049506.0 151
  71.100 207921.0 30
  71.800 361386.5 52
  74.000 539604.5 77
  88.100 980199.0 141
  89.200 212871.5 31
  106.100 485149.0 70
  142.300 34653.5 5
//

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