ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003372
RECORD_TITLE: ISOPROPYL MYRISTATE; 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$NAME: ISOPROPYL MYRISTATE
CH$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$LINK: INCHIKEY AXISYYRBXTVTFY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026838

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$SPLASH: splash10-0pb9-9320000000-555fda071da050d8d712
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  44 5.1 51
  45 5.8 58
  54 60.8 608
  55 10.8 108
  56 60.7 607
  57 0.22 2
  58 22.2 222
  59 78.5 785
  60 27 270
  67 0.5 5
  68 4.3 43
  69 23.6 236
  70 7.7 77
  71 2.86 29
  72 2 20
  73 34.5 345
  74 8.2 82
  81 0.55 6
  82 3.4 34
  83 14.3 143
  84 8.2 82
  85 1.64 16
  87 10.8 108
  95 6.1 61
  96 2.2 22
  97 1.18 12
  98 8.7 87
  99 5.7 57
  101 5.1 51
  102 99.99 999
  103 12.8 128
  109 2.5 25
  111 6.5 65
  112 0.22 2
  113 3.4 34
  115 6.5 65
  116 2.3 23
  125 0.27 3
  129 19.2 192
  143 5.7 57
  157 2.2 22
  168 0.22 2
  171 4.1 41
  185 9.8 98
  209 2.2 22
  211 3.3 33
  212 4.8 48
  227 5.1 51
  228 64.6 646
  229 5.61 56
  230 7.7 77
  270 12.8 128
  271 26 260
  272 4 40
//