MassBank Record: WA002741



 Exifone; LC-ESI-Q; MS; NEG; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002741
RECORD_TITLE: Exifone; LC-ESI-Q; MS; NEG; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Exifone CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H10O7 CH$EXACT_MASS: 278.04265 CH$SMILES: Oc(c2)c(O)c(O)c(c2)C(=O)c(c1)cc(O)c(O)c(O)1 CH$IUPAC: InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H CH$LINK: CAS 52479-85-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.520 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5 PK&ANNOTATION: m/z type 555 [2M-H]-
PK$SPLASH: splash10-004i-0900000000-8b4e4863c0d7144e2b76 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 107 227 227 108 12 12 123 278 278 124 20 20 125 999 999 126 47 47 151 462 462 152 31 31 169 35 35 277 82 82 278 16 16 555 12 12 //