ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010270
RECORD_TITLE: 7-(1,3-DIOXAN-2-YL)HEPTANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 7-(1,3-DIOXAN-2-YL)HEPTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₃
CH$EXACT_MASS: 200.14124
CH$SMILES: O=CCCCCCCC(O1)OCCC1
CH$IUPAC: InChI=1S/C11H20O3/c12-8-5-3-1-2-4-7-11-13-9-6-10-14-11/h8,11H,1-7,9-10H2
CH$LINK: INCHIKEY SYAIQNFWXPQVMV-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-9000000000-a45e34c0339d8a55c421
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  53 1.41 14
  54 1.7 17
  55 7.04 70
  56 1.12 11
  57 8.54 85
  58 3.12 31
  59 13.05 131
  67 2.65 27
  68 1.54 15
  69 4.04 40
  71 1.11 11
  79 1.05 11
  81 4.23 42
  83 1.16 12
  87 99.99 999
  88 4.61 46
  95 4.33 43
  96 1.41 14
  97 1.11 11
  102 1 10
  113 2.03 20
  115 1.15 12
  124 1.09 11
  199 3.95 40
  200 1.16 12
//