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MassBank Record: JP008506

HEPTYL PHENYLACETATE; EI-B; MS

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

ACCESSION: JP008506
RECORD_TITLE: HEPTYL PHENYLACETATE; 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$NAME: HEPTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCCCCCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-2-3-4-5-9-12-17-15(16)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
CH$LINK: INCHIKEY MFCMCQJYPOAXCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1068198

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$SPLASH: splash10-052f-9100000000-bdbd08069a7de34cff94
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 9.49 95
  29 17.37 174
  39 10.11 101
  41 33.93 339
  42 6.94 69
  43 45.29 453
  51 2.3 23
  53 1.45 15
  55 13.55 136
  56 7.57 76
  57 99.99 999
  58 3.16 32
  63 2.7 27
  64 1.04 10
  65 15.11 151
  68 1.04 10
  69 3.71 37
  70 4.24 42
  71 1.26 13
  89 3.27 33
  90 3.01 30
  91 97.39 974
  92 25.37 254
  93 1.39 14
  98 4.71 47
  119 2.06 21
  136 30.67 307
  137 13.71 137
  143 11.53 115
  234 1.08 11
//

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