MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011444

3,4-METHYLENEDIOXYBENZENEMETHANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011444
RECORD_TITLE: 3,4-METHYLENEDIOXYBENZENEMETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 3,4-METHYLENEDIOXYBENZENEMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: OCc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
CH$LINK: INCHIKEY BHUIUXNAPJIDOG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060089

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0udi-2900000000-d33afdb613ca9a909758
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
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//