ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004175
RECORD_TITLE: 3-DODECYL-GAMMA-BUTYROLACTONE; 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$NAME: 3-DODECYL-GAMMA-BUTYROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O2
CH$EXACT_MASS: 254.22458
CH$SMILES: CCCCCCCCCCCCC(C1)CC(=O)O1
CH$IUPAC: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-16(17)18-14-15/h15H,2-14H2,1H3
CH$LINK: INCHIKEY KTTRQOLCFVDCNA-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-052n-9000000000-d867cef11dc922258d3c
PK$NUM_PEAK: 164
PK$PEAK: m/z int. rel.int.
  26 1.2 12
  27 14 140
  28 11.6 116
  29 2.6 26
  30 0.9 9
  31 3.5 35
  32 1.3 13
  38 0.04 0
  39 10.2 102
  40 2.2 22
  41 48 480
  42 1.5 15
  43 40.4 404
  44 3.1 31
  45 4.1 41
  46 0.02 0
  47 0.1 1
  48 0.1 1
  49 0.1 1
  50 0.03 0
  51 0.6 6
  52 0.4 4
  53 5.4 54
  54 0.72 7
  55 43.6 436
  56 13.8 138
  57 27 270
  58 0.56 6
  59 1.4 14
  60 2.2 22
  61 0.6 6
  64 0.01 0
  65 0.8 8
  66 0.8 8
  67 9 90
  68 0.6 6
  69 17 170
  70 8 80
  71 11.8 118
  72 0.22 2
  73 4.4 44
  74 1.2 12
  75 0.9 9
  76 0.01 0
  77 0.7 7
  78 0.3 3
  79 1.7 17
  80 0.1 1
  81 7.8 78
  82 5.6 56
  83 12.8 128
  84 0.4 4
  85 10.4 104
  86 96 960
  87 8 80
  88 0.1 1
  89 1.7 17
  90 0.1 1
  91 0.7 7
  92 0.02 0
  93 0.8 8
  94 0.6 6
  95 4.5 45
  96 0.32 3
  97 7.6 76
  98 2.9 29
  99 99.99 999
  100 0.86 9
  101 8.8 88
  102 0.5 5
  103 0.6 6
  104 0.02 0
  105 0.4 4
  106 0.1 1
  107 0.4 4
  108 0.03 0
  109 2.2 22
  110 1.6 16
  111 3.5 35
  112 0.14 1
  113 2.7 27
  114 0.8 8
  115 0.8 8
  116 0.03 0
  117 0.2 2
  118 0.1 1
  119 0.3 3
  120 0.01 0
  121 0.5 5
  122 0.2 2
  123 1 10
  124 0.08 1
  125 1.6 16
  126 1.1 11
  127 1.5 15
  128 0.12 1
  129 1.1 11
  130 0.2 2
  135 0.3 3
  136 0.02 0
  137 0.7 7
  138 0.8 8
  139 0.7 7
  140 0.05 1
  141 2.5 25
  142 0.9 9
  143 1 10
  144 0.02 0
  145 0.1 1
  151 0.7 7
  152 0.4 4
  153 0.03 0
  154 0.6 6
  155 1.2 12
  156 0.6 6
  157 0.12 1
  158 0.2 2
  164 0.2 2
  165 0.4 4
  166 0.07 1
  167 0.8 8
  168 0.5 5
  169 1.1 11
  170 0.03 0
  171 0.8 8
  172 0.4 4
  179 0.4 4
  180 0.01 0
  181 0.1 1
  182 0.5 5
  183 0.5 5
  184 0.02 0
  185 0.2 2
  186 0.3 3
  187 0.1 1
  191 0.01 0
  192 0.3 3
  193 0.3 3
  194 0.2 2
  195 0.03 0
  196 0.3 3
  197 0.6 6
  198 0.3 3
  199 0.01 0
  207 0.2 2
  208 0.2 2
  209 0.1 1
  210 0.05 1
  211 0.3 3
  212 0.1 1
  224 0.1 1
  225 0.02 0
  226 0.1 1
  227 0.1 1
  235 0.1 1
  236 0.02 0
  239 0.2 2
  240 0.1 1
  252 0.2 2
  253 0.04 0
  254 20.8 208
  255 3.3 33
  256 0.4 4
  257 0.1 1
//
