ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008553
RECORD_TITLE: 1-METHYLHEPTYL ACETATE; 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$NAME: 1-METHYLHEPTYL ACETATE
CH$NAME: ACETIC ACID 1-METHYLHEPTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCC(C)OC(C)=O
CH$IUPAC: InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY SJFUDWKNZGXSLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10862818
AC$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: splash10-0006-9000000000-d8a2a75a383822ce4738
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 3.75 38
  27 9.27 93
  28 2.24 22
  29 11 110
  39 5.88 59
  41 17.87 179
  42 8.2 82
  43 99.99 999
  44 3.78 38
  45 5.6 56
  53 1.07 11
  55 11.86 119
  56 9.21 92
  57 6.88 69
  58 5.86 59
  59 2.15 22
  61 3.36 34
  69 5.03 50
  70 10.39 104
  71 3.55 36
  82 1.06 11
  83 4.43 44
  84 2.52 25
  87 18.84 188
  97 1.45 15
  102 1.45 15
  112 4.44 44
//
