ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002526
RECORD_TITLE: N-HEPTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-HEPTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCCOC(C)=O
CH$IUPAC: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
CH$LINK: INCHIKEY ZCZSIDMEHXZRLG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047124

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-f1ad3b37065aca66bd65
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 6.33 63
  27 10.8 108
  28 3.07 31
  29 14.26 143
  31 1.38 14
  39 6.71 67
  40 1.42 14
  41 26.42 264
  42 19.11 191
  43 99.99 999
  44 3 30
  53 1.5 15
  54 3.69 37
  55 31.27 313
  56 50.05 501
  57 15.33 153
  58 3.57 36
  61 29.72 297
  67 1.23 12
  68 6.27 63
  69 23.33 233
  70 44.06 441
  71 2.94 29
  73 7.94 79
  83 4.51 45
  87 1.46 15
  97 2.27 23
  98 22.56 226
  99 1.9 19
  101 1.5 15
  116 2.11 21
//