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MassBank Record: KO001900

L-(+)-Tartaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001900
RECORD_TITLE: L-(+)-Tartaric acid; 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 T023

CH$NAME: Tartarate
CH$NAME: (+)-Tartaric acid
CH$NAME: Tartrate
CH$NAME: (2R,3R)-Tartaric acid
CH$NAME: (R,R)-Tartrate
CH$NAME: L-Tartaric acid
CH$NAME: (R,R)-Tartaric acid
CH$NAME: Tartaric acid
CH$NAME: 2,3-Dihydroxybutanedioic acid
CH$NAME: L-(+)-Tartaric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O6
CH$EXACT_MASS: 150.01644
CH$SMILES: OC(=O)C([H])(O)C([H])(O)C(O)=O
CH$IUPAC: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
CH$LINK: CAS 87-69-4
CH$LINK: CHEBI 15671
CH$LINK: KEGG C00898
CH$LINK: NIKKAJI J31.839F
CH$LINK: PUBCHEM SID:4154
CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N
CH$LINK: COMPTOX DTXSID8023632

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 149
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0072-9700000000-1e8e6f410c1d71af856e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  34.800 49505.0 2
  40.800 14851.5 1
  43.000 1227724.0 39
  45.000 148515.0 5
  46.900 54455.5 2
  57.000 524753.0 16
  59.100 4564361.0 143
  72.900 16178234.0 508
  74.400 658416.5 21
  74.900 2425745.0 76
  77.000 49505.0 2
  84.900 113861.5 4
  87.300 31113892.5 977
  103.200 7841592.0 246
  104.900 3054458.5 96
  106.200 24752.5 1
  119.300 9901.0 1
  121.200 123762.5 4
  130.900 2336636.0 73
  138.800 24752.5 1
  147.900 19802.0 1
  148.900 31802012.0 999
//

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