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MassBank Record: JP007718

HEXADECYL ACETATE; EI-B; MS

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

ACCESSION: JP007718
RECORD_TITLE: HEXADECYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: HEXADECYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
CH$LINK: INCHIKEY LSTDYDRCKUBPDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2052312

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0006-9000000000-772e1198d75be2843ab9
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  40 1.4 14
  41 37.2 372
  42 10.9 109
  43 99.99 999
  44 3.6 36
  53 1.5 15
  54 4.9 49
  55 3.39 34
  56 19.6 196
  57 28.1 281
  58 2.2 22
  61 2.53 25
  67 5.3 53
  68 7.7 77
  69 23.1 231
  70 1.48 15
  71 10.8 108
  73 2.3 23
  81 2.6 26
  82 1 10
  83 21 210
  84 8 80
  85 4.7 47
  95 0.1 1
  96 3.5 35
  97 14.3 143
  98 4.8 48
  99 0.09 1
  101 0.3 3
  110 1.2 12
  111 6.3 63
  112 0.22 2
  116 1 10
  124 0.6 6
  125 2.4 24
  126 0.12 1
  138 0.3 3
  139 0.7 7
  140 0.6 6
  152 0.02 0
  153 0.3 3
  154 0.4 4
  167 0.2 2
  168 0.02 0
  196 0.7 7
  197 0.1 1
  224 0.4 4
  225 0.1 1
//

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