MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005835

1,3-DICHLORO-2-PROPANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005835
RECORD_TITLE: 1,3-DICHLORO-2-PROPANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 1,3-DICHLORO-2-PROPANOL
CH$NAME: GLYCEROL ALPHA,ALPHA'-DICHLOROHYDRIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆Cl₂O
CH$EXACT_MASS: 127.97957
CH$SMILES: OC(CCl)CCl
CH$IUPAC: InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
CH$LINK: INCHIKEY DEWLEGDTCGBNGU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025010

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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$SPLASH: splash10-004i-9000000000-dd224da25a04f4ca876a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  43 12.5 125
  78 1.56 16
  79 99.99 999
  80 2.79 28
  81 34.28 343
//