ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002732
RECORD_TITLE: METHYL 15-TETRACOSENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 15-TETRACOSENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₄₈O₂
CH$EXACT_MASS: 380.36543
CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10+
CH$LINK: INCHIKEY AINIZSBLAFHZCP-ZHACJKMWSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-0k9t-9400000000-cf1a06fe1d40502f1a37
PK$NUM_PEAK: 114
PK$PEAK: m/z int. rel.int.
  30 3.2 32
  31 20.4 204
  32 99.99 999
  33 0.4 4
  38 1.8 18
  39 2.1 21
  41 9.1 91
  42 1.08 11
  43 25.4 254
  44 9.8 98
  45 81.3 813
  46 0.28 3
  47 1.9 19
  51 0.1 1
  52 1.7 17
  53 0.24 2
  54 1.8 18
  55 52 520
  56 81.4 814
  57 0.93 9
  58 8.2 82
  59 4.2 42
  60 1.7 17
  61 0.11 1
  63 1.7 17
  64 1.6 16
  67 2.9 29
  68 0.25 3
  69 3.8 38
  70 13.6 136
  71 5 50
  72 0.15 2
  73 23.3 233
  74 3 30
  75 13.5 135
  76 0.78 8
  77 1.2 12
  79 2 20
  80 2 20
  81 0.18 2
  82 2.5 25
  83 2 20
  84 6.3 63
  85 0.2 2
  86 5.6 56
  87 7.6 76
  88 1.9 19
  89 0.44 4
  91 3.1 31
  93 2 20
  94 1.8 18
  95 0.26 3
  96 1.8 18
  97 2.5 25
  98 3 30
  99 9.48 95
  100 69.9 699
  101 48.1 481
  102 5.8 58
  103 0.17 2
  104 0.3 3
  105 0.2 2
  107 0.4 4
  108 0.02 0
  109 1.6 16
  110 1.7 17
  111 0.7 7
  112 0.02 0
  113 0.3 3
  114 8.1 81
  115 2.7 27
  117 0.22 2
  119 0.2 2
  126 11.2 112
  127 4.6 46
  128 0.4 4
  129 0.8 8
  130 1.1 11
  131 0.6 6
  133 0.08 1
  135 1.6 16
  142 1.6 16
  143 1.6 16
  144 0.02 0
  145 85.1 851
  146 6.4 64
  147 2.4 24
  158 0.67 7
  159 4.7 47
  160 2.5 25
  170 1.7 17
  171 0.46 5
  172 2.6 26
  173 0.4 4
  187 1.1 11
  188 0.03 0
  189 12.4 124
  190 1.3 13
  201 0.6 6
  203 0.09 1
  207 0.3 3
  215 6.7 67
  219 0.2 2
  231 0.4 4
  233 7 70
  234 0.07 1
  259 0.7 7
  270 0.9 9
  289 2.8 28
  290 0.23 2
  333 12.6 126
  334 2.1 21
  335 0.1 1
  348 1.7 17
//