ACCESSION: MSBNK-MSSJ-MSJ00070
RECORD_TITLE: 2,2'-Dithiodiethanol; FAB-BE; MS; Positive; Matrix 2,2'-Dithiodiethanol
DATE: 2018.02.01
AUTHORS: Rika Miyake, Graduate School of Engineering Science, Osaka University
LICENSE: CC BY
COPYRIGHT: Rika Miyake, Graduate School of Engineering Science, Osaka University
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
COMMENT: Sample was injected by flow injection

CH$NAME: 2,2'-Dithiodiethanol
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₄H₁₀O₂S₂
CH$EXACT_MASS: 154.01222
CH$SMILES: OCCSSCCO
CH$IUPAC: InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
CH$LINK: CHEMSPIDER 15117
CH$LINK: INCHIKEY KYNFOMQIXZUKRK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15906
CH$LINK: COMPTOX DTXSID4044404

AC$INSTRUMENT: JMS-700, JEOL
AC$INSTRUMENT_TYPE: FAB-BE
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: LASER Xe 6 keV
AC$MASS_SPECTROMETRY: MATRIX 2,2'-Dithiodiethanol
AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000

PK$SPLASH: splash10-0zg4-4911000000-ce47deed42d982d03725
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  27 28576 32
  29 34336 38
  31 10368 12
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  41 89104 100
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  43 115104 129
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  47 14352 16
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//