ACCESSION: MSBNK-RIKEN-PR010202
RECORD_TITLE: Palmitic acid; GC-EI-TOF; MS; 1 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Palmitic acid
CH$NAME: Hexadecylic acid
CH$NAME: Hexadecanoate
CH$NAME: Cetylic acid
CH$NAME: Palmitate
CH$NAME: Hexadecanoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
CH$LINK: CAS 57-10-3
CH$LINK: CHEBI 15756
CH$LINK: CHEMPDB PLM
CH$LINK: KEGG C00249
CH$LINK: NIKKAJI J1.378A
CH$LINK: PUBCHEM 3548
CH$LINK: INCHIKEY IPCSVZSSVZVIGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021602

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$CHROMATOGRAPHY: RETENTION_INDEX 2038.4
AC$CHROMATOGRAPHY: RETENTION_TIME 522.943 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C19H40O2Si
MS$FOCUSED_ION: DERIVATIVE_MASS 328.27976
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0100-9700000000-3d8b6cf4736afa482b57
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  60 21 21
  61 79 79
  62 7 7
  63 5 5
  64 1 1
  65 8 8
  66 3 3
  67 69 69
  68 2 2
  69 60 60
  70 25 25
  71 40 40
  72 53 53
  73 999 999
  74 115 115
  75 707 707
  76 70 70
  77 72 72
  78 6 6
  79 37 37
  80 4 4
  81 60 60
  82 9 9
  83 64 64
  84 26 26
  85 29 29
  86 13 13
  87 9 9
  88 7 7
  89 25 25
  90 4 4
  91 9 9
  92 2 2
  93 20 20
  94 2 2
  95 50 50
  96 7 7
  97 42 42
  98 33 33
  99 22 22
  100 3 3
  101 14 14
  102 4 4
  103 4 4
  105 23 23
  106 2 2
  107 9 9
  108 1 1
  109 14 14
  110 2 2
  111 18 18
  112 9 9
  113 4 4
  114 2 2
  115 8 8
  116 55 55
  117 807 807
  118 79 79
  119 34 34
  120 2 2
  121 7 7
  122 1 1
  123 4 4
  124 2 2
  125 5 5
  126 3 3
  127 4 4
  128 3 3
  129 363 363
  130 48 48
  131 122 122
  132 339 339
  133 66 66
  134 17 17
  135 6 6
  136 1 1
  137 2 2
  138 1 1
  139 3 3
  140 2 2
  141 2 2
  142 2 2
  143 28 28
  144 3 3
  145 159 159
  146 22 22
  147 7 7
  148 1 1
  149 2 2
  153 2 2
  154 3 3
  155 3 3
  157 8 8
  158 1 1
  159 16 16
  160 2 2
  161 1 1
  167 1 1
  168 1 1
  169 1 1
  171 15 15
  172 2 2
  173 5 5
  174 3 3
  181 1 1
  182 2 2
  185 20 20
  186 3 3
  187 13 13
  188 4 4
  189 1 1
  195 2 2
  196 1 1
  199 6 6
  200 1 1
  201 32 32
  202 6 6
  203 2 2
  209 1 1
  213 5 5
  214 1 1
  215 4 4
  216 1 1
  227 5 5
  228 1 1
  229 6 6
  230 1 1
  241 3 3
  243 6 6
  244 1 1
  255 1 1
  257 4 4
  258 1 1
  269 8 8
  270 2 2
  271 2 2
  283 1 1
  285 8 8
  286 2 2
  299 1 1
  312 6 6
  313 138 138
  314 37 37
  315 10 10
  316 1 1
  327 1 1
  328 16 16
  329 4 4
  330 1 1
//