ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001778
RECORD_TITLE: DOCOSANOIC ACID BUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DOCOSANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₅₂O₂
CH$EXACT_MASS: 396.39673
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h3-25H2,1-2H3
CH$LINK: INCHIKEY SLUTZBDOCDXRSH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2067240

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0002-0009000000-412d593c83bea69f310a
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  61 3.55 36
  65 0.79 8
  67 0.51 5
  69 1.37 14
  70 0.58 6
  71 2.28 23
  73 2.85 29
  81 0.72 7
  83 2.06 21
  84 0.55 6
  85 2.15 22
  95 0.59 6
  97 1.68 17
  98 0.52 5
  101 0.85 9
  111 0.39 4
  116 0.93 9
  117 1.45 15
  129 2.07 21
  185 0.56 6
  293 14.47 145
  297 0.24 2
  320 0.37 4
  321 2.27 23
  322 0.57 6
  323 3.8 38
  324 0.84 8
  339 2.94 29
  341 37.89 379
  342 7.57 76
  343 0.95 10
  395 16.24 162
  396 8.98 90
  397 99.99 999
  398 26.76 268
  399 6.44 64
  400 0.48 5
  437 0.97 10
  438 0.16 2
  439 0.5 5
//