ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008529
RECORD_TITLE: 3-HEPTYL FORMATE; 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$NAME: 3-HEPTYL FORMATE
CH$NAME: FORMIC ACID 1-ETHYLPENTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCC(CC)OC=O
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-6-8(4-2)10-7-9/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY RJJVYSJFEOFICB-UHFFFAOYSA-N
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$SPLASH: splash10-0aor-9000000000-de59c75b0a313afa42b0
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.45 15
  18 4.77 48
  26 1.52 15
  27 24.62 246
  28 3.39 34
  29 30.06 301
  30 1.5 15
  31 31.58 316
  39 14.75 148
  40 1.73 17
  41 70.05 701
  42 7.62 76
  43 23.63 236
  44 3.88 39
  45 8.08 81
  46 1.02 10
  53 2.4 24
  54 2.89 29
  55 22.84 228
  56 36.43 364
  57 32.33 323
  58 6.62 66
  59 87.51 875
  60 2.61 26
  67 1.69 17
  68 2.31 23
  69 99.99 999
  70 24.95 250
  71 1.56 16
  83 3.24 32
  85 1.89 19
  86 2.45 25
  87 38.15 382
  88 1.77 18
  98 30.17 302
  99 3.93 39
  115 13.42 134
//
