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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003127

NORDIHYDROHALKENDIN; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003127
RECORD_TITLE: NORDIHYDROHALKENDIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: NORDIHYDROHALKENDIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O5
CH$EXACT_MASS: 234.05282
CH$SMILES: COC(C(=O)3)=C(O)c(c1)c(O3)cc(O2)c(CC2)1
CH$IUPAC: InChI=1S/C12H10O5/c1-15-11-10(13)7-4-6-2-3-16-8(6)5-9(7)17-12(11)14/h4-5,13H,2-3H2,1H3
CH$LINK: INCHIKEY BOAPVINLXIYMQC-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-000x-0980000000-14e81c6deabd98287c75
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  77 10 100
  107 2 20
  121 3 30
  134 2 20
  135 1 10
  149 3 30
  162 5 50
  163 19 190
  191 99.99 999
  192 12 120
  219 47 470
  234 84 840
  235 9 90
//

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