MassBank Record: MSBNK-Keio_Univ-KO001902
ACCESSION: MSBNK-Keio_Univ-KO001902
RECORD_TITLE: L-(+)-Tartaric acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 149
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-05fu-9000000000-f46a01eb933ba6fbceac
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
34.700 14851.5 3
41.200 559406.5 128
43.200 2752478.0 630
45.000 861387.0 197
56.900 782179.0 179
59.300 1470298.5 336
69.100 108911.0 25
72.900 4366341.0 999
74.100 113861.5 26
75.000 89109.0 20
87.300 485149.0 111
120.400 29703.0 7
//
system version 2.2.6-SNAPSHOT