ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006704
RECORD_TITLE: METHYL 3-ACETOXYHEXADECANOATE; 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$NAME: METHYL 3-ACETOXYHEXADECANOATE
CH$NAME: BETA-ACETOXYPALMITIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₆O₄
CH$EXACT_MASS: 328.26136
CH$SMILES: CCCCCCCCCCCCCC(OC(C)=O)CC(=O)OC
CH$IUPAC: InChI=1S/C19H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(23-17(2)20)16-19(21)22-3/h18H,4-16H2,1-3H3
CH$LINK: INCHIKEY LNSKNBASLYLDGC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00797488

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0ac1-9410000000-791c9e29241af1bf9674
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  54 11.1 111
  55 21.9 219
  56 99.99 999
  57 3.57 36
  58 75.8 758
  59 43.4 434
  60 9.8 98
  61 0.84 8
  66 4.3 43
  67 51.8 518
  68 42.7 427
  69 8.1 81
  70 31.1 311
  71 43.6 436
  72 6.4 64
  73 0.79 8
  74 92.7 927
  75 25.6 256
  77 3 30
  79 1.06 11
  80 8.9 89
  81 59 590
  82 44.2 442
  83 6.52 65
  84 52.6 526
  85 27.5 275
  86 3.5 35
  87 7.06 71
  88 8.8 88
  91 3.5 35
  93 5.5 55
  94 0.89 9
  95 41.5 415
  96 61.5 615
  97 63.8 638
  98 4.28 43
  99 10.1 101
  100 15 150
  101 55.1 551
  102 0.53 5
  103 35.8 358
  107 4.4 44
  108 6.2 62
  109 2.32 23
  110 29.1 291
  111 31.2 312
  112 12 120
  113 3.43 34
  114 18.8 188
  115 12 120
  116 7.7 77
  119 0.52 5
  121 5.3 53
  122 4 40
  123 19 190
  124 1.35 14
  125 15.5 155
  126 5.2 52
  127 12.1 121
  128 1.65 17
  129 9.3 93
  133 4.8 48
  134 7.3 73
  135 0.43 4
  136 3.1 31
  137 12.4 124
  138 14.6 146
  139 1.05 11
  140 3.5 35
  141 15.5 155
  142 5.4 54
  143 0.56 6
  145 9.2 92
  148 3.7 37
  151 7.7 77
  152 2.25 23
  153 7.4 74
  155 5.1 51
  157 3.5 35
  165 0.59 6
  166 7.8 78
  171 11.4 114
  172 3.3 33
  179 0.32 3
  185 5.8 58
  192 9.6 96
  193 5.7 57
  194 3.21 32
  195 15.8 158
  208 4.2 42
  211 19.4 194
  212 0.35 4
  218 5.2 52
  225 3.1 31
  236 40.8 408
  237 3.05 31
  238 5.1 51
  268 25.5 255
  269 7.3 73
  285 1.81 18
  286 4.1 41
  297 1.6 16
  328 0.5 5
//