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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001228

PARA-MENTH-2,3-YLENE DIACETATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001228
RECORD_TITLE: PARA-MENTH-2,3-YLENE DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: PARA-MENTH-2,3-YLENE DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H24O4
CH$EXACT_MASS: 256.16746
CH$SMILES: CC(=O)OC(C(C)1)C(OC(C)=O)C(C(C)C)CC1
CH$IUPAC: InChI=1S/C14H24O4/c1-8(2)12-7-6-9(3)13(17-10(4)15)14(12)18-11(5)16/h8-9,12-14H,6-7H2,1-5H3
CH$LINK: INCHIKEY UQPARNPFQUTRPS-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0006-9600000000-56f6818b0ce1050283d5
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 1 10
  17 1.3 13
  27 2 20
  28 0.2 2
  29 2.7 27
  39 1.3 13
  41 10 100
  42 0.2 2
  43 99.99 999
  44 3 30
  54 1.3 13
  55 0.8 8
  56 1.3 13
  57 3.3 33
  67 2.7 27
  68 0.13 1
  69 8 80
  70 2.3 23
  71 4.7 47
  78 0.1 1
  80 2 20
  82 5.3 53
  83 1.3 13
  84 0.3 3
  85 9.3 93
  86 1.3 13
  90 0.7 7
  93 0.53 5
  94 1.7 17
  95 4.3 43
  96 1 10
  97 0.27 3
  105 1 10
  107 1.3 13
  110 49.7 497
  111 1 10
  121 6.7 67
  136 2 20
  137 3 30
  138 0.13 1
  139 17 170
  140 1 10
  153 11 110
  154 3.77 38
  155 4 40
  173 4 40
  174 12 120
  195 0.1 1
  196 5 50
  197 1.3 13
//

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