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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002452

(4S,5S)-2-(2-CHLOROETHYL)-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-JP002452
RECORD_TITLE: (4S,5S)-2-(2-CHLOROETHYL)-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$NAME: (4S,5S)-2-(2-CHLOROETHYL)-4,5-BIS(METHOXYMETHYL)-1,3-DIOXOLANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H17ClO4
CH$EXACT_MASS: 224.08154
CH$SMILES: COCC([H])(O1)C([H])(COC)OC(CCCl)1
CH$IUPAC: InChI=1S/C9H17ClO4/c1-11-5-7-8(6-12-2)14-9(13-7)3-4-10/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
CH$LINK: INCHIKEY GVJGBRWIWGNQMU-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$SPLASH: splash10-0cdu-9500000000-0cd1200f568bf7d8981a
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  38 1.3 13
  39 3.3 33
  40 1.8 18
  41 0.8 8
  42 2 20
  43 15.5 155
  44 3.6 36
  45 3.18 32
  53 2.9 29
  54 2 20
  55 24.5 245
  56 1 10
  57 7.3 73
  58 20.9 209
  59 57.3 573
  60 0.27 3
  67 1.8 18
  68 3.3 33
  69 9.4 94
  70 0.65 7
  71 30 300
  72 6.5 65
  73 4.4 44
  75 0.65 7
  81 7.4 74
  83 14.5 145
  84 20.9 209
  85 3.09 31
  86 3.6 36
  87 99.99 999
  88 2.9 29
  95 0.2 2
  99 2.5 25
  100 3.6 36
  101 2.7 27
  102 0.18 2
  103 1.8 18
  107 4.4 44
  109 2.2 22
  111 0.24 2
  113 1.8 18
  115 82.7 827
  116 6.4 64
  121 0.29 3
  128 2.5 25
  129 5.8 58
  143 46.4 464
  144 0.45 5
  161 56.4 564
  162 3.1 31
  179 6.4 64
  181 0.25 3
  187 2.7 27
//

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