MassBank Record: MSBNK-Keio_Univ-KO001428
ACCESSION: MSBNK-Keio_Univ-KO001428
RECORD_TITLE: Mucic 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 M065
CH$NAME: Mucate
CH$NAME: Galactaric acid
CH$NAME: Galactarate
CH$NAME: Mucic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O8
CH$EXACT_MASS: 210.03757
CH$SMILES: OC(=O)C(O)C(O)C(O)C(O)C(O)=O
CH$IUPAC: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
CH$LINK: CAS
526-99-8
CH$LINK: CHEBI
30852
CH$LINK: KEGG
C01807
CH$LINK: NIKKAJI
J6.665F
CH$LINK: PUBCHEM
SID:4932
CH$LINK: INCHIKEY
DSLZVSRJTYRBFB-DUHBMQHGSA-N
CH$LINK: COMPTOX
DTXSID7048740
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 209
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052r-9430000000-7bc8b56c9c00f7aed59f
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
57.000 24752.5 11
59.300 163366.5 75
70.600 29703.0 14
85.100 2188121.0 999
89.000 198020.0 90
92.800 19802.0 9
102.800 128713.0 59
126.800 59406.0 27
128.800 143564.5 66
132.900 376238.0 172
140.900 59406.0 27
146.800 34653.5 16
148.900 103960.5 47
165.100 49505.0 23
191.200 336634.0 154
209.100 1099011.0 502
//