MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002459

(4S,5S)-2-ETHYLIDENE-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002459
RECORD_TITLE: (4S,5S)-2-ETHYLIDENE-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: (4S,5S)-2-ETHYLIDENE-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₄
CH$EXACT_MASS: 188.10486
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(=CC)1
CH$IUPAC: InChI=1S/C9H16O4/c1-4-9-12-7(5-10-2)8(13-9)6-11-3/h4,7-8H,5-6H2,1-3H3/t7-,8-/m0/s1
CH$LINK: INCHIKEY XTCIDCFOYMSRFH-YUMQZZPRSA-N

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AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 13.5 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-000i-3900000000-e3094196dba6e43141e5
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  55 3.2 32
  56 2.7 27
  57 2 20
  58 0.34 3
  68 1.7 17
  70 3.9 39
  71 7.6 76
  84 0.74 7
  85 25 250
  87 3 30
  100 6.1 61
  113 0.27 3
  114 7.6 76
  115 9.1 91
  128 2.2 22
  143 1.82 18
  158 3.4 34
  187 2.5 25
  188 99.99 999
  189 3 30
//