MassBank Record: MSBNK-Keio_Univ-KO001429
ACCESSION: MSBNK-Keio_Univ-KO001429
RECORD_TITLE: Mucic acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 209
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-34bca663662f41b51683
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
45.300 34653.5 42
57.300 128713.0 157
59.300 410891.5 503
70.900 346535.0 424
72.900 49505.0 61
75.100 74257.5 91
85.000 816832.5 999
87.200 44554.5 54
89.000 341584.5 418
100.700 19802.0 24
114.900 59406.0 73
132.900 84158.5 103
148.800 34653.5 42
209.100 64356.5 79
//