MassBank Record: MSBNK-Waters-WA002741
ACCESSION: MSBNK-Waters-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: CC BY-NC
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$LINK: CAS
52479-85-3
CH$LINK: INCHIKEY
XEDWWPGWIXPVRQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9044950
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.520 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0900000000-8b4e4863c0d7144e2b76
PK$ANNOTATION: m/z type
555 [2M-H]-
PK$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
//