ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009905
RECORD_TITLE: 1-CHLORO-3-METHYLENE-1,4-BUTANEDIOL DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 1-CHLORO-3-METHYLENE-1,4-BUTANEDIOL DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13ClO4
CH$EXACT_MASS: 220.05024
CH$SMILES: CC(=O)OCC(=C)CC(Cl)OC(C)=O
CH$IUPAC: InChI=1S/C9H13ClO4/c1-6(5-13-7(2)11)4-9(10)14-8(3)12/h9H,1,4-5H2,2-3H3
CH$LINK: INCHIKEY VIJVCKDWQUPTRB-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9300000000-052af095753bf4b8728f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  26 2.6 26
  27 7.3 73
  29 1.5 15
  32 1.8 18
  39 4.6 46
  40 2 20
  41 4.8 48
  42 2.7 27
  43 99.99 999
  44 4.7 47
  51 1.7 17
  53 4.3 43
  54 3.5 35
  55 4.1 41
  57 1.2 12
  61 3.2 32
  65 5 50
  67 2.6 26
  69 2 20
  78 1.8 18
  81 2 20
  82 10.3 103
  83 12.5 125
  84 6.4 64
  85 2.3 23
  87 5.3 53
  88 2.8 28
  89 1.3 13
  101 2.1 21
  102 3.2 32
  103 4 40
  113 1.7 17
  118 9 90
  119 1.6 16
  120 2.2 22
  125 15.3 153
  129 12.2 122
  143 4.5 45
  160 2 20
  161 1.5 15
  185 28 280
//
