ACCESSION: MSBNK-Osaka_Univ-OUF00006
RECORD_TITLE: 1-Hexadecanol; GC-EI-TOF; MS; n TMS; RT:754.885 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 1-Hexadecanol
CH$COMPOUND_CLASS: Natural Product
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$LINK: CAS 36653-82-4
CH$LINK: CHEBI 16125
CH$LINK: CHEMSPIDER 2581
CH$LINK: KEGG C00823 D00099
CH$LINK: PUBCHEM CID:2682
CH$LINK: INCHIKEY BXWNKGSJHAJOGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4027991

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1956.633
AC$CHROMATOGRAPHY: RETENTION_TIME 754.885 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0f72-7931000000-00a8faa3fd4f0c38a405
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
  85 204 204
  86 24 24
  87 103 103
  88 49 49
  89 621 621
  90 64 64
  91 226 226
  92 21 21
  93 19 19
  94 4 4
  95 71 71
  96 38 38
  97 616 616
  98 65 65
  99 150 150
  100 23 23
  101 357 357
  102 42 42
  103 756 756
  104 75 75
  105 34 34
  106 2 2
  107 6 6
  108 1 1
  109 30 30
  110 16 16
  111 302 302
  112 39 39
  113 68 68
  114 14 14
  115 184 184
  116 24 24
  117 22 22
  118 4 4
  119 1 1
  121 3 3
  123 11 11
  124 9 9
  125 114 114
  126 18 18
  127 32 32
  128 4 4
  129 120 120
  130 15 15
  131 33 33
  132 3 3
  135 1 1
  137 5 5
  138 4 4
  139 36 36
  140 8 8
  141 17 17
  142 2 2
  143 43 43
  144 5 5
  145 18 18
  146 2 2
  151 2 2
  152 2 2
  153 18 18
  154 4 4
  155 6 6
  156 1 1
  157 25 25
  158 4 4
  159 7 7
  160 1 1
  165 1 1
  166 1 1
  167 9 9
  168 3 3
  169 3 3
  170 1 1
  171 24 24
  172 4 4
  173 4 4
  174 1 1
  179 1 1
  181 5 5
  182 2 2
  183 2 2
  184 1 1
  185 22 22
  186 4 4
  187 3 3
  188 1 1
  189 1 1
  190 1 1
  193 1 1
  194 1 1
  195 2 2
  196 7 7
  197 3 3
  198 1 1
  199 25 25
  200 5 5
  201 4 4
  202 1 1
  203 1 1
  204 1 1
  206 1 1
  207 1 1
  209 1 1
  210 1 1
  211 1 1
  213 28 28
  214 5 5
  215 3 3
  216 1 1
  217 1 1
  218 1 1
  221 1 1
  224 12 12
  225 3 3
  226 1 1
  227 23 23
  228 4 4
  229 2 2
  230 1 1
  241 11 11
  242 2 2
  243 1 1
  244 1 1
  255 1 1
  283 9 9
  284 3 3
  297 2 2
  298 13 13
  299 999 999
  300 331 331
  301 93 93
  302 18 18
  303 2 2
  314 2 2
  315 1 1
//