ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007102
RECORD_TITLE: ISOPROPYL MYRISTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL MYRISTATE
CH$NAME: ISOPROPYL TETRADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
CH$LINK: CAS 110-27-0
CH$LINK: INCHIKEY AXISYYRBXTVTFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026838

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ox-9210000000-fe05458ea214ddbf37c9
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  27 11.02 110
  29 16.82 168
  39 7.02 70
  41 47.52 475
  42 15.64 156
  43 99.99 999
  44 2.64 26
  45 3.32 33
  53 2.05 21
  54 2.81 28
  55 33.01 330
  56 10.13 101
  57 38.82 388
  58 2.13 21
  59 16.09 161
  60 56.08 561
  61 15.04 150
  67 3.64 36
  68 2.53 25
  69 19.04 190
  70 5.45 55
  71 19.19 192
  72 1.08 11
  73 26.26 263
  74 2.94 29
  81 3.47 35
  82 2.02 20
  83 12.2 122
  84 7.29 73
  85 12.71 127
  87 7.21 72
  95 2.94 29
  96 1.67 17
  97 8.98 90
  98 8.26 83
  99 3.19 32
  101 3.24 32
  102 58.01 580
  103 8.1 81
  109 1.71 17
  111 4.2 42
  112 1.86 19
  113 1.71 17
  115 4.07 41
  116 1.25 13
  125 2.38 24
  129 13.24 132
  130 1.3 13
  139 1.13 11
  143 2.62 26
  157 1 10
  166 1.26 13
  168 1.26 13
  171 2.25 23
  185 8.12 81
  199 1.29 13
  211 21.38 214
  212 2.71 27
  228 34.84 348
  229 23.87 239
  230 3.09 31
  270 1.23 12
//