ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003343
RECORD_TITLE: 2-BUTOXYETHYL STEARATE; 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$NAME: 2-BUTOXYETHYL STEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₈O₃
CH$EXACT_MASS: 384.36035
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCOCCCC
CH$IUPAC: InChI=1S/C24H48O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY NHUXFMNHQIITCP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1059369

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$SPLASH: splash10-0a4i-9100000000-5cc052a340077bbd9ce3
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  43 75.8 758
  44 8.5 85
  45 27.6 276
  53 2.4 24
  54 38.4 384
  55 92.7 927
  56 99.99 999
  57 0.55 6
  58 2.2 22
  59 7.4 74
  60 3.8 38
  63 0.24 2
  67 7 70
  68 4.4 44
  69 19.7 197
  70 0.6 6
  71 18.5 185
  72 2.4 24
  73 9.5 95
  74 0.34 3
  81 6.8 68
  82 4.1 41
  83 14.4 144
  84 1.64 16
  85 85.3 853
  86 7.7 77
  87 8.9 89
  88 0.87 9
  98 24.3 243
  99 10.5 105
  100 51.1 511
  101 2.68 27
  105 4.9 49
  109 3.7 37
  111 5 50
  112 0.72 7
  115 2.1 21
  117 11.3 113
  119 2.9 29
  129 0.34 3
  154 3.7 37
  155 2.1 21
  160 10.1 101
  173 0.53 5
  239 12 120
  255 3.2 32
  256 2.9 29
  257 0.27 3
  267 5.8 58
  283 6.4 64
  284 5.4 54
  285 0.19 2
  311 2.6 26
  312 2.2 22
//