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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002451

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002451
RECORD_TITLE: (4S,5S)-4,5-BIS(METHOXYMETHYL)-2-VINYL-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

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

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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05n3-9300000000-633d0409f13dd0d70191
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  39 7.1 71
  41 18.1 181
  42 3.6 36
  43 2.29 23
  44 2.5 25
  45 60.2 602
  53 4.1 41
  54 0.25 3
  55 36.1 361
  56 13.8 138
  57 20.5 205
  58 2.77 28
  59 83.1 831
  60 3.6 36
  67 3.6 36
  68 0.66 7
  69 9.4 94
  70 8.2 82
  71 45.8 458
  72 1.12 11
  73 4.8 48
  75 4.6 46
  81 3.8 38
  83 2.17 22
  84 27.7 277
  85 41 410
  86 4.6 46
  87 99.99 999
  88 4.1 41
  89 2 20
  95 3.1 31
  99 0.31 3
  100 7.1 71
  101 6.1 61
  102 5.6 56
  111 0.61 6
  113 4.6 46
  114 2 20
  115 78.3 783
  116 0.33 3
  126 4.1 41
  128 4.1 41
  143 83.1 831
  144 1.02 10
  161 12.7 127
  188 5.6 56
  189 0.8 8
//

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