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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009015

DIPROPYL ADIPATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009015
RECORD_TITLE: DIPROPYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIPROPYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O4
CH$EXACT_MASS: 230.15181
CH$SMILES: CCCOC(=O)CCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
CH$LINK: CAS 106-19-4
CH$LINK: INCHIKEY NKOUWLLFHNBUDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044511

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-024l-5900000000-fc76702babe73dc56312
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  26 1.08 11
  27 8.05 81
  28 5.2 52
  29 3.34 33
  31 11.38 114
  32 2.47 25
  39 4.84 48
  41 19.35 194
  42 11.37 114
  43 29.21 292
  45 1.86 19
  54 1.77 18
  55 26.23 262
  56 8.14 81
  57 2.89 29
  58 2.36 24
  59 7.64 76
  60 8.42 84
  61 7.62 76
  68 1.35 14
  69 2.37 24
  73 7.02 70
  74 1.63 16
  82 1.57 16
  83 11.98 120
  84 4.23 42
  85 1.3 13
  87 23.01 230
  88 1.23 12
  99 1.66 17
  100 15.75 158
  101 26.81 268
  102 3.99 40
  103 1.32 13
  110 2.41 24
  111 54.5 545
  112 5.9 59
  115 2.22 22
  128 2.19 22
  129 74.04 740
  130 4.74 47
  142 26.82 268
  143 3.15 32
  144 1.76 18
  170 3.28 33
  171 99.99 999
  172 8.79 88
  173 1.15 12
  189 1.08 11
//

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