ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008877
RECORD_TITLE: 2-CHLOROPROPANE (1,1,1,2,3,3,3-D7); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 2-CHLOROPROPANE (1,1,1,2,3,3,3-D7)
CH$NAME: ISOPROPYLCHLORIDE (1,1,1,2,3,3,3-D7)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7Cl
CH$EXACT_MASS: 78.02363
CH$SMILES: [2H]C([2H])([2H])C([2H])(Cl)C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3/i1D3,2D3,3D
CH$LINK: INCHIKEY ULYZAYCEDJDHCC-YYWVXINBSA-N
CH$LINK: COMPTOX DTXSID50584360
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0uea-9000000000-bd5bb5da355f25d5fc8b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  16 2.12 21
  18 7.35 74
  28 13.51 135
  29 2.65 27
  30 58.28 583
  32 3.44 34
  35 2.19 22
  37 1.46 15
  38 3.31 33
  40 6.09 61
  42 21.52 215
  44 3.05 31
  45 2.65 27
  46 36.42 364
  47 1.99 20
  48 6.49 65
  49 14.24 142
  50 99.99 999
  51 3.31 33
  63 1.52 15
  65 2.65 27
  67 17.55 176
  69 5.63 56
  84 1.46 15
  85 15.5 155
  87 5.23 52
//
