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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002458

(4S,5S)-2-(1-BROMOETHYL)-4,5-BIS(METHOXYMETHYL)-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-JP002458
RECORD_TITLE: (4S,5S)-2-(1-BROMOETHYL)-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

CH$NAME: (4S,5S)-2-(1-BROMOETHYL)-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H17BrO4
CH$EXACT_MASS: 268.03102
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(C(C)Br)1
CH$IUPAC: InChI=1S/C9H17BrO4/c1-6(10)9-13-7(4-11-2)8(14-9)5-12-3/h6-9H,4-5H2,1-3H3/t6?,7-,8-/m0/s1
CH$LINK: INCHIKEY LCTPJEBXTXYYCG-ALKRTJFJSA-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$SPLASH: splash10-03dr-9600000000-c4726927b506877004cc
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  39 3.4 34
  40 1.5 15
  41 8.6 86
  42 0.24 2
  43 18.8 188
  44 2.2 22
  45 41.1 411
  53 0.22 2
  55 15.2 152
  56 5.7 57
  57 5.3 53
  58 0.7 7
  59 29.5 295
  69 9.1 91
  71 13.4 134
  72 0.19 2
  73 2.6 26
  75 4.5 45
  80 5.7 57
  82 0.43 4
  83 8.6 86
  84 6.7 67
  85 34.8 348
  86 0.28 3
  87 25.9 259
  99 6.2 62
  100 2.8 28
  101 0.33 3
  103 6.4 64
  113 2.2 22
  114 4 40
  115 9.2 92
  116 9.8 98
  129 6.4 64
  143 17.9 179
  151 0.33 3
  161 99.99 999
  162 14.3 143
  163 1.7 17
  188 0.43 4
  222 2.2 22
  224 1.5 15
//

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