ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007708
RECORD_TITLE: 1-OCTADECANOL; 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$NAME: 1-OCTADECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₈O
CH$EXACT_MASS: 270.29227
CH$SMILES: CCCCCCCCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
CH$LINK: CAS 112-92-5
CH$LINK: INCHIKEY GLDOVTGHNKAZLK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026935

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$SPLASH: splash10-052f-9000000000-f288a18a6df1296b18be
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  40 2.4 24
  41 85 850
  42 21.1 211
  43 99.99 999
  44 5.3 53
  45 2 20
  53 3.3 33
  54 0.84 8
  55 75 750
  56 36.6 366
  57 62.2 622
  58 0.27 3
  66 1 10
  67 9.9 99
  68 19.5 195
  69 4.48 45
  70 24.2 242
  71 20 200
  72 1 10
  73 0.1 1
  81 4.6 46
  82 17.8 178
  83 37.8 378
  84 1.3 13
  85 8.9 89
  95 1.8 18
  96 5.7 57
  97 2.47 25
  98 6.5 65
  99 1.6 16
  110 2 20
  111 1.08 11
  112 3.5 35
  113 0.8 8
  124 1 10
  125 0.42 4
  126 1.7 17
  138 0.5 5
  139 1.2 12
  140 0.09 1
  153 0.5 5
  154 0.5 5
  167 0.3 3
  168 0.03 0
  181 0.1 1
  182 0.2 2
  195 0.1 1
  196 0.02 0
  224 0.3 3
  252 0.1 1
//