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MassBank Record: KO003970

L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003970
RECORD_TITLE: L-Serine; 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 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 40 V

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

PK$SPLASH: splash10-03dm-9000000000-87d693d73343037f6da8
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  28.400 29703.0 72
  30.100 9901.0 24
  42.100 391089.5 951
  44.000 19802.0 48
  45.400 29703.0 72
  45.900 242574.5 590
  60.200 410891.5 999
  69.800 24752.5 60
  71.800 64356.5 156
  91.400 29703.0 72
//

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