ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005279
RECORD_TITLE: CHLOROACETIC ACID ALLYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CHLOROACETIC ACID ALLYL ESTER
CH$NAME: ALLYL CHLOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₇ClO₂
CH$EXACT_MASS: 134.01346
CH$SMILES: C=CCOC(=O)CCl
CH$IUPAC: InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
CH$LINK: INCHIKEY VMBJJCDVORDOCF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90183417

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-054x-9000000000-bbc79634cdf3cdb429e3
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  14 3.51 35
  15 3.9 39
  26 4.56 46
  27 12.31 123
  28 4.46 45
  29 8.75 88
  30 1.14 11
  31 2.94 29
  37 1.95 20
  38 4.27 43
  39 41.44 414
  40 11.38 114
  41 99.99 999
  42 13.78 138
  43 3.75 38
  47 1 10
  48 2.04 20
  49 28.99 290
  50 2.04 20
  51 8.94 89
  55 3.19 32
  57 27.33 273
  58 83.89 839
  59 2.75 28
  70 1.71 17
  71 4.81 48
  75 1.23 12
  76 3.28 33
  77 54.18 542
  78 2 20
  79 17.11 171
  85 23.57 236
  86 1.23 12
  95 2.09 21
  99 1.14 11
//