ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003330
RECORD_TITLE: METHOXYETHYL 12-CARBOXYMETHYL-9-OCTADECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: METHOXYETHYL 12-CARBOXYMETHYL-9-OCTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₂O₅
CH$EXACT_MASS: 398.30322
CH$SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCCOC)CC(O)=O
CH$IUPAC: InChI=1S/C23H42O5/c1-3-4-5-12-15-21(20-22(24)25)16-13-10-8-6-7-9-11-14-17-23(26)28-19-18-27-2/h10,13,21H,3-9,11-12,14-20H2,1-2H3,(H,24,25)/b13-10+
CH$LINK: INCHIKEY BYHIYIJOILHTEX-JLHYYAGUSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-9440000000-bf4fd5b66c2880ff1994
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  53 5.7 57
  56 9.8 98
  57 20.9 209
  58 40.2 402
  66 0.32 3
  67 37.9 379
  68 15.7 157
  69 20.1 201
  70 0.37 4
  71 5.2 52
  77 3.4 34
  79 16.2 162
  80 1.67 17
  81 33.7 337
  82 16.4 164
  83 13.4 134
  84 0.87 9
  85 4.8 48
  91 5.2 52
  93 10.8 108
  94 1.03 10
  95 22.1 221
  96 15.3 153
  97 15.8 158
  98 2.65 27
  99 7.3 73
  107 6.6 66
  108 7.1 71
  109 1.29 13
  110 11.3 113
  111 6.2 62
  112 4.3 43
  113 0.33 3
  117 4.3 43
  118 3.9 39
  119 3.1 31
  121 0.78 8
  122 5.7 57
  123 9.3 93
  124 8.8 88
  125 0.33 3
  131 3.1 31
  135 9.1 91
  136 5.8 58
  137 0.83 8
  138 6.1 61
  149 7.3 73
  150 12 120
  151 1.62 16
  152 3.8 38
  159 13.9 139
  163 5.2 52
  164 1 10
  165 5.1 51
  166 12.3 123
  167 3.6 36
  177 0.36 4
  178 5.6 56
  208 5.4 54
  234 9.4 94
  262 99.99 999
  263 36.2 362
  264 8.3 83
  280 6.8 68
  338 1.55 16
  339 6.7 67
  340 1.9 19
  378 2.4 24
//