ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006253
RECORD_TITLE: PALMITIC ACID; 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$NAME: PALMITIC ACID
CH$COMPOUND_CLASS: N/A
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: INCHIKEY IPCSVZSSVZVIGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021602

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0abc-9110000000-6d7f0dbe5b588850b941
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  14 1.3 13
  15 1.35 14
  29 43.82 438
  30 1.09 11
  31 2.12 21
  32 5.83 58
  39 18.29 183
  40 4.41 44
  41 89.83 898
  42 22.04 220
  43 99.99 999
  44 4.51 45
  45 10.46 105
  50 0.56 6
  51 1.05 11
  52 0.76 8
  53 6.95 70
  54 6.64 66
  55 70.35 704
  56 21.38 214
  57 72.94 729
  58 3.84 38
  59 4.69 47
  60 86.92 869
  61 22.16 222
  62 0.86 9
  65 1.33 13
  66 0.84 8
  67 10.42 104
  68 6.99 70
  69 42.11 421
  70 12.85 129
  71 37.61 376
  72 2.46 25
  73 93.14 931
  74 8.59 86
  75 0.78 8
  77 1.24 12
  78 0.59 6
  79 2.88 29
  80 1.2 12
  81 6.83 68
  82 6.05 61
  83 25.41 254
  84 11.34 113
  85 22.57 226
  86 2.19 22
  87 16.98 170
  88 2.31 23
  91 1.22 12
  92 0.57 6
  93 2.95 30
  94 1.04 10
  95 6.82 68
  96 5.03 50
  97 18.95 190
  98 11.47 115
  99 7.84 78
  100 1.1 11
  101 8.78 88
  102 3.24 32
  107 1.41 14
  108 1.1 11
  109 2.54 25
  110 3.07 31
  111 9.02 90
  112 4.32 43
  113 5.14 51
  114 0.88 9
  115 13.54 135
  116 5.75 58
  117 0.56 6
  121 2.88 29
  122 0.47 5
  123 1.04 10
  124 1.39 14
  125 4.17 42
  126 1.98 20
  127 3.84 38
  128 0.6 6
  129 35.27 353
  130 3.84 38
  135 1.22 12
  136 1.81 18
  137 0.87 9
  138 1.21 12
  139 1.88 19
  140 1.28 13
  141 2.64 26
  143 5.23 52
  144 1.33 13
  149 1.04 10
  152 1.02 10
  153 1.26 13
  154 1.25 13
  155 1.24 12
  157 11.16 112
  158 1.88 19
  166 0.75 8
  167 0.69 7
  168 1.27 13
  169 0.34 3
  171 11.03 110
  172 1.82 18
  185 11.13 111
  186 1.51 15
  194 2.9 29
  195 0.78 8
  196 2.95 30
  197 1.75 18
  199 4.75 48
  200 1.03 10
  213 20.66 207
  214 3.38 34
  227 5.42 54
  228 2.02 20
  239 0.95 10
  241 0.69 7
  242 1.14 11
  256 82.08 821
  257 14.71 147
  258 1.55 16
//