ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006549
RECORD_TITLE: ISOPROPYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL LAURATE
CH$NAME: ISOPROPYL DODECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY UJPPXNXOEVDSRW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3041904

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$SPLASH: splash10-0f6x-9100000000-552cf8702f9602b99af3
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  27 15.8 158
  29 19.62 196
  39 9.11 91
  41 51.88 519
  42 18.25 183
  43 99.99 999
  44 3.2 32
  45 4.55 46
  53 1.99 20
  54 2.37 24
  55 30.58 306
  56 9.58 96
  57 33.59 336
  58 1.67 17
  59 18.62 186
  60 58.65 587
  61 12.66 127
  67 3.03 30
  68 2.25 23
  69 14.56 146
  70 5.01 50
  71 17.48 175
  73 26.11 261
  74 2.77 28
  81 2.64 26
  82 1.65 17
  83 10.29 103
  84 6.65 67
  85 13.47 135
  87 6.72 67
  95 3.28 33
  96 1.43 14
  97 7.99 80
  98 6.83 68
  99 2.17 22
  101 4.54 45
  102 45.19 452
  103 4.98 50
  109 1.52 15
  111 2.75 28
  112 1.38 14
  115 5.16 52
  129 9.43 94
  138 1.37 14
  140 1.74 17
  143 1.8 18
  157 6.21 62
  171 1.79 18
  183 21.82 218
  184 2.6 26
  200 24.16 242
  201 20.73 207
  202 2.36 24
//