MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007940

7-BROMO-3-METHOXY-2-METHYLTHIOISOQUINOLINE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007940
RECORD_TITLE: 7-BROMO-3-METHOXY-2-METHYLTHIOISOQUINOLINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

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CH$NAME: 7-BROMO-3-METHOXY-2-METHYLTHIOISOQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀BrNOS
CH$EXACT_MASS: 282.96665
CH$SMILES: COc(c1)c(SC)nc(c2)c(ccc(Br)2)1
CH$IUPAC: InChI=1S/C11H10BrNOS/c1-14-10-5-7-3-4-8(12)6-9(7)13-11(10)15-2/h3-6H,1-2H3
CH$LINK: INCHIKEY HWNKEJGGLOFWDE-UHFFFAOYSA-N

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

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PK$SPLASH: splash10-0059-9000000000-5683c8876b5db52d5362
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  79 99.99 999
  81 97.85 979
//