ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007698
RECORD_TITLE: HEXADECYL 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$NAME: HEXADECYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₃Br
CH$EXACT_MASS: 304.17656
CH$SMILES: CCCCCCCCCCCCCCCCBr
CH$IUPAC: InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
CH$LINK: CAS 112-82-3
CH$LINK: INCHIKEY HNTGIJLWHDPAFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2049397

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$SPLASH: splash10-052f-9100000000-1403cf804a3cee79e60f
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  40 2.4 24
  41 70.5 705
  42 15.8 158
  43 99.99 999
  44 3.8 38
  53 3 30
  54 3.6 36
  55 4.75 48
  56 14.4 144
  57 79 790
  58 3.4 34
  67 0.32 3
  68 2.1 21
  69 25.2 252
  70 7.7 77
  71 3.51 35
  72 2 20
  81 1.3 13
  82 1.8 18
  83 1.14 11
  84 3.1 31
  85 17.6 176
  86 1.2 12
  97 0.62 6
  98 1.5 15
  99 3.7 37
  107 0.9 9
  109 0.09 1
  111 1.8 18
  112 0.6 6
  113 1.9 19
  121 0.04 0
  123 0.5 5
  125 0.4 4
  126 0.3 3
  127 0.1 1
  134 1.6 16
  135 21.1 211
  136 1.8 18
  137 2.08 21
  138 0.9 9
  141 0.8 8
  148 0.5 5
  149 0.56 6
  150 0.8 8
  151 3.6 36
  155 0.5 5
  162 0.02 0
  163 0.6 6
  164 0.2 2
  165 0.5 5
  169 0.03 0
  177 0.2 2
  179 0.2 2
  191 0.1 1
  193 0.01 0
  205 0.1 1
  207 0.1 1
  223 0.1 1
  225 0.2 2
//