ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003326
RECORD_TITLE: ISOPROPYL PALMITATE; 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$NAME: ISOPROPYL PALMITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₈O₂
CH$EXACT_MASS: 298.28718
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
CH$LINK: INCHIKEY XUGNVMKQXJXZCD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9027104

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$SPLASH: splash10-0pb9-9210000000-41597dc201ecf902b37f
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  44 6 60
  45 4.4 44
  53 6.4 64
  54 60 600
  55 15.6 156
  56 72.3 723
  57 0.33 3
  58 19.4 194
  59 71.7 717
  60 26.1 261
  67 0.87 9
  68 5.5 55
  69 31.9 319
  70 8.9 89
  71 4.1 41
  73 40.9 409
  74 6.5 65
  81 6.6 66
  82 0.43 4
  83 18.5 185
  84 9.7 97
  85 22 220
  87 1.05 11
  95 6.7 67
  96 3.9 39
  97 13.6 136
  98 1.91 19
  99 6.3 63
  101 6.1 61
  102 79.2 792
  103 1.19 12
  109 3.2 32
  111 8.4 84
  112 5.1 51
  113 0.35 4
  115 7.8 78
  125 4.2 42
  129 15.9 159
  157 0.51 5
  171 3.9 39
  185 4.5 45
  213 7 70
  239 2.14 21
  240 3.9 39
  255 3 30
  256 59.6 596
  257 4.02 40
  258 4.6 46
  298 9 90
  299 5.5 55
//