ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007699
RECORD_TITLE: OCTADECYL 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$NAME: OCTADECYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₇Br
CH$EXACT_MASS: 332.20786
CH$SMILES: CCCCCCCCCCCCCCCCCCBr
CH$IUPAC: InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
CH$LINK: CAS 112-89-0
CH$LINK: INCHIKEY WSULSMOGMLRGKU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8059423

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$SPLASH: splash10-052f-9000000000-141e4e4cb3309fe9e939
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  40 2.1 21
  41 66 660
  42 15 150
  43 99.99 999
  44 3.6 36
  53 2.5 25
  54 3.5 35
  55 4.55 46
  56 14.1 141
  57 81.6 816
  58 3.6 36
  67 0.32 3
  68 2.2 22
  69 23.7 237
  70 7.2 72
  71 3.61 36
  72 2 20
  81 1.3 13
  82 1.9 19
  83 1.13 11
  84 3.2 32
  85 19 190
  86 1.3 13
  97 0.67 7
  98 1.6 16
  99 4.5 45
  107 0.7 7
  109 0.08 1
  111 2.2 22
  112 0.8 8
  113 2.3 23
  121 0.04 0
  123 0.4 4
  125 0.6 6
  126 0.4 4
  127 0.13 1
  134 1.4 14
  135 16.8 168
  136 1.6 16
  137 1.62 16
  138 0.8 8
  141 0.9 9
  148 0.4 4
  149 0.3 3
  150 0.5 5
  151 3 30
  155 0.5 5
  162 0.02 0
  163 0.5 5
  164 0.2 2
  165 0.6 6
  169 0.05 1
  177 0.3 3
  179 0.2 2
  191 0.2 2
  193 0.02 0
  197 0.2 2
  205 0.1 1
  207 0.1 1
  219 0.01 0
  221 0.1 1
  253 0.1 1
//