ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005345
RECORD_TITLE: (Z,Z,Z)-6,9,15-OCTADECATRIENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (Z,Z,Z)-6,9,15-OCTADECATRIENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂O₂
CH$EXACT_MASS: 292.24023
CH$SMILES: CCC([H])=C([H])CCCCC([H])=C([H])CC([H])=C([H])CCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11,13-14H,3,6-9,12,15-18H2,1-2H3/b5-4-,11-10-,14-13-
CH$LINK: INCHIKEY SWFJVJVXGIDQRY-WMWLCQRCSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001l-9400000000-6b020a8af8b992a91da1
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  40 6.38 64
  41 29.2 292
  43 17.53 175
  44 3.74 37
  45 2.61 26
  52 1.53 15
  54 17.03 170
  55 28.92 289
  57 3.4 34
  59 7.53 75
  66 8.27 83
  67 99.99 999
  68 29.42 294
  69 30.49 305
  71 4.5 45
  73 1.07 11
  74 9.67 97
  77 5.25 53
  78 3.54 35
  79 56.69 567
  80 53.06 531
  81 94.3 943
  82 63.98 640
  83 19.86 199
  84 5.72 57
  85 5.44 54
  86 1.84 18
  87 16.91 169
  88 2 20
  91 11.21 112
  92 6.9 69
  93 67.86 679
  94 54.95 550
  95 62.91 629
  96 30.21 302
  97 7.58 76
  98 1.4 14
  99 2.7 27
  101 1.83 18
  105 13.34 133
  106 9.87 99
  107 31.35 314
  108 21.12 211
  109 21.7 217
  110 24.42 244
  111 7.65 77
  112 1.53 15
  115 1.97 20
  117 1.39 14
  119 12.64 126
  120 8.41 84
  121 51.56 516
  122 30.29 303
  123 14.33 143
  124 12.57 126
  125 2.12 21
  127 1.76 18
  129 1.86 19
  130 1.19 12
  131 1.74 17
  133 6.73 67
  134 3.79 38
  135 31.11 311
  136 23.69 237
  137 8.64 86
  140 1.96 20
  145 2.96 30
  147 5.92 59
  148 1.58 16
  149 24.96 250
  150 20.36 204
  151 1.79 18
  153 0.53 5
  154 1.76 18
  161 5.95 60
  163 27.97 280
  164 5 50
  168 2.64 26
  173 1.53 15
  175 2.1 21
  177 9.52 95
  178 8.22 82
  192 1.64 16
  210 7.36 74
  223 1.2 12
  235 1.89 19
  249 7.8 78
  250 2.14 21
  263 10.84 108
  292 3.06 31
//