ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003342
RECORD_TITLE: BUTYL 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$NAME: BUTYL STEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₄O₂
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY ULBTUVJTXULMLP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027013

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$SPLASH: splash10-0a4i-9210000000-c10ada2b8c68ab9b2ec5
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  45 2.1 21
  53 2.6 26
  54 64.1 641
  55 99.99 999
  56 81 810
  57 4.1 41
  59 30.6 306
  60 2.29 23
  67 6.7 67
  68 4 40
  69 23.8 238
  70 0.54 5
  71 21.1 211
  73 32.8 328
  74 3.5 35
  81 0.5 5
  82 2.8 28
  83 13.5 135
  84 7.2 72
  85 1.25 13
  87 6.7 67
  95 5.2 52
  97 11.3 113
  98 1.04 10
  101 11.4 114
  109 2.2 22
  111 5.6 56
  112 0.28 3
  115 5.2 52
  116 27.6 276
  117 12.2 122
  125 0.21 2
  129 19.6 196
  130 2 20
  143 3.3 33
  157 0.2 2
  171 3.1 31
  185 7.3 73
  211 4.1 41
  213 0.33 3
  228 2.5 25
  229 8.6 86
  239 9.5 95
  241 0.27 3
  256 5.9 59
  257 23.4 234
  258 4.1 41
  267 0.57 6
  284 7.9 79
  285 14.6 146
  286 0.21 2
  341 4.8 48
//