ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008108
RECORD_TITLE: 1-HEXADECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-HEXADECANOL
CH$NAME: CYTEL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₄O
CH$EXACT_MASS: 242.26097
CH$SMILES: CCCCCCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
CH$LINK: COMPTOX DTXSID4027991
CH$LINK: INCHIKEY BXWNKGSJHAJOGX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2682

AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 40 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a59-9100000000-51d2315e018d6ebbe25d
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  31 6.96 70
  39 3.58 36
  41 40.45 405
  42 13.91 139
  43 83.36 834
  45 2.68 27
  47 0.12 1
  49 0.95 10
  53 2.33 23
  54 9.95 100
  55 87.92 879
  56 59.84 598
  57 87.67 877
  58 5.87 59
  60 0.02 0
  67 13.53 135
  68 40.36 404
  69 96.78 968
  70 63.31 633
  71 40.85 409
  72 2.72 27
  73 1.63 16
  75 0.81 8
  81 7.1 71
  82 49.14 491
  83 99.99 999
  84 46.46 465
  85 12.51 125
  86 2.16 22
  87 0.01 0
  95 3.43 34
  96 16.76 168
  97 90.59 906
  98 30.61 306
  99 7.31 73
  109 1.49 15
  110 9.49 95
  111 47.56 476
  112 23.11 231
  113 4.66 47
  123 2.08 21
  124 5.23 52
  125 23.37 234
  126 15.22 152
  127 2.47 25
  129 0.81 8
  138 3.87 39
  139 8.63 86
  140 9.54 95
  141 2.01 20
  147 2.24 22
  152 2.37 24
  153 3.87 39
  154 6.8 68
  167 2.83 28
  168 6.17 62
  182 2.4 24
  196 11.5 115
  197 2.75 28
  207 0.3 3
  224 5.32 53
//