MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003115
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003115
RECORD_TITLE: HALKENDIN; 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$NAME: HALKENDIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O5
CH$EXACT_MASS: 246.05282
CH$SMILES: COC(C(=O)3)=C(OC)c(c1)c(O3)cc(o2)c(cc2)1
CH$IUPAC: InChI=1S/C13H10O5/c1-15-11-8-5-7-3-4-17-9(7)6-10(8)18-13(14)12(11)16-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
NYELECLICIMRBA-UHFFFAOYSA-N
AC$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: splash10-0w2a-0390000000-4d70fe41c61a5d6b3a20
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
104 9 90
132 12 120
160 62 620
175 5 50
203 99.99 999
231 19 190
246 81 810
247 13 130
//