ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004684
RECORD_TITLE: 1-BROMOOCTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1-BROMOOCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₇Br
CH$EXACT_MASS: 192.05136
CH$SMILES: CCCCCCCCBr
CH$IUPAC: InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
CH$LINK: CAS 111-83-1
CH$LINK: INCHIKEY VMKOFRJSULQZRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021938

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4u-9300000000-a8f3edf1e27e2eed470b
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  40 2.12 21
  42 62.72 627
  43 82.82 828
  53 3.36 34
  54 2.14 21
  55 55.54 555
  56 20.18 202
  57 99.99 999
  58 4.92 49
  67 2.1 21
  68 1.5 15
  69 30.86 309
  70 13.41 134
  71 71.44 714
  72 4.13 41
  73 4.46 45
  75 1.78 18
  83 8.91 89
  84 4.07 41
  85 5.28 53
  99 1.1 11
  107 3.42 34
  109 3.32 33
  113 1.17 12
  121 1.3 13
  123 1.03 10
  130 1.77 18
  135 70.37 704
  136 3.41 34
  137 68.52 685
  138 3.28 33
  149 6.25 63
  151 6.02 60
  185 2.02 20
  187 1.1 11
  192 1.08 11
  194 1.01 10
//