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MassBank Record: KO003969

L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003969
RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-03di-9000000000-5b5167f3e69dd9d329d6
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  42.200 618812.5 244
  46.000 935644.5 369
  60.200 2534656.0 999
  70.100 108911.0 43
  71.700 143564.5 57
  74.000 69307.0 27
  78.000 19802.0 8
  87.800 54455.5 21
//

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