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MassBank Record: JP001771

HEXADECANOIC ACID BUTYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP001771
RECORD_TITLE: HEXADECANOIC ACID BUTYL ESTER; EI-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$NAME: HEXADECANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H40O2
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
CH$LINK: INCHIKEY GLYJVQDYLFAUFC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059395

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9210000000-09fcf01342b9b16080a3
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  18 0.95 10
  29 3.68 37
  56 99.99 999
  57 18.46 185
  58 0.23 2
  60 13.58 136
  61 12.13 121
  69 2.82 28
  71 7.54 75
  73 13.9 139
  83 3.62 36
  84 3.53 35
  85 4.82 48
  87 1.9 19
  97 4.79 48
  98 3 30
  99 1.41 14
  101 4.88 49
  111 1.78 18
  115 2.02 20
  116 11.73 117
  117 5.64 56
  129 14.38 144
  143 1.09 11
  157 1.07 11
  171 2.38 24
  185 3.62 36
  207 0.34 3
  208 0.22 2
  213 2.64 26
  227 0.46 5
  239 9.14 91
  240 1.06 11
  256 5.94 59
  257 18.59 186
  258 3.29 33
  281 0.11 1
  312 5.38 54
  313 0.97 10
//

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