MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003113
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003113
RECORD_TITLE: HALFORDIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: HALFORDIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12O6
CH$EXACT_MASS: 276.06339
CH$SMILES: COC(C(=O)3)=C(OC)c(c(O3)1)c(OC)c(c2)c(oc2)c1
CH$IUPAC: InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3
CH$LINK: INCHIKEY
SHOQQSABOUVQLJ-UHFFFAOYSA-N
AC$INSTRUMENT: AEI-GEC MS-902
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-0190000000-8ed5389f5991bd7dbd0c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
119 3 30
147 9 90
175 8 80
190 19 190
218 4 40
233 45 450
234 5 50
261 15 150
276 99.99 999
277 18 180
//
system version 2.2.6-SNAPSHOT