ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007694
RECORD_TITLE: DODECYL BROMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DODECYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₅Br
CH$EXACT_MASS: 248.11396
CH$SMILES: CCCCCCCCCCCCBr
CH$IUPAC: InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
CH$LINK: CAS 143-15-7
CH$LINK: INCHIKEY PBLNBZIONSLZBU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2044395

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0006-9100000000-16c52113c66b918ba9f1
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  40 3.4 34
  41 76.9 769
  42 17.9 179
  43 99.99 999
  44 3.6 36
  53 3.8 38
  54 3.4 34
  55 5.18 52
  56 14.6 146
  57 68.3 683
  58 3 30
  67 0.29 3
  68 1.7 17
  69 24.3 243
  70 6.5 65
  71 2.63 26
  72 1.4 14
  81 0.8 8
  82 1.1 11
  83 0.89 9
  84 2.4 24
  85 12 120
  86 0.8 8
  97 0.33 3
  98 0.8 8
  99 2.5 25
  107 1.2 12
  109 0.11 1
  111 0.7 7
  112 0.3 3
  113 1.2 12
  121 0.05 1
  123 0.5 5
  127 0.5 5
  134 0.4 4
  135 2.54 25
  136 3.7 37
  137 22.5 225
  138 1 10
  149 0.35 4
  150 0.7 7
  151 3.8 38
  152 0.2 2
  163 0.04 0
  164 0.1 1
  165 0.3 3
//