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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007290

(3S,4R,5S)-1,1-DIBROMO-3,5-DIMETHYL-4-METHOXYMETHOXY-1-HEPTENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007290
RECORD_TITLE: (3S,4R,5S)-1,1-DIBROMO-3,5-DIMETHYL-4-METHOXYMETHOXY-1-HEPTENE; 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$NAME: (3S,4R,5S)-1,1-DIBROMO-3,5-DIMETHYL-4-METHOXYMETHOXY-1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20Br2O2
CH$EXACT_MASS: 341.98301
CH$SMILES: COCOC([H])(C([H])(C)CC)C([H])(C)C=C(Br)Br
CH$IUPAC: InChI=1S/C11H20Br2O2/c1-5-8(2)11(15-7-14-4)9(3)6-10(12)13/h6,8-9,11H,5,7H2,1-4H3/t8-,9-,11+/m0/s1
CH$LINK: INCHIKEY GBTIXNCCLOMTCN-ATZCPNFKSA-N

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-000b-9100000000-c1a56ad7c7285c8483aa
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 6.9 69
  43 4.7 47
  45 99.99 999
  46 0.73 7
  55 4.1 41
  56 3.3 33
  57 19.5 195
  58 0.26 3
  67 3.4 34
  69 4.9 49
  70 3.8 38
  71 0.28 3
  80 2.7 27
  82 3.5 35
  85 67.7 677
  86 0.38 4
  93 2.3 23
  98 2.7 27
  101 8.3 83
  131 9.85 99
  132 7.5 75
  177 3.1 31
  179 2.3 23
  204 0.22 2
  210 3.9 39
  212 12 120
  214 4.5 45
  224 0.08 1
  226 1.2 12
  228 0.5 5
//

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