ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007016
RECORD_TITLE: HEPTYL NONANOATE; 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$NAME: HEPTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCC(=O)OCCCCCCC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-16(17)18-15-13-11-8-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY ARSLOAKOWGOSEX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90221848

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$SPLASH: splash10-0a4l-9100000000-cc9f1c2e7e45adbb7aa9
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  27 14.94 149
  29 31.96 320
  31 1.23 12
  39 8.88 89
  41 60.61 606
  42 19.57 196
  43 68.83 688
  44 1.53 15
  45 1.68 17
  53 2.62 26
  54 4.62 46
  55 47.02 470
  56 52.95 530
  57 99.99 999
  58 4 40
  59 1.46 15
  60 14.78 148
  61 35.41 354
  67 3.88 39
  68 10.44 104
  69 31.83 318
  70 47.97 480
  71 21.9 219
  72 1.12 11
  73 18.03 180
  74 1.55 16
  81 3.64 36
  82 1.49 15
  83 10.95 110
  84 5.27 53
  85 1.61 16
  87 4.2 42
  89 2.66 27
  96 1.98 20
  97 5.5 55
  98 72.64 726
  99 5.13 51
  101 3.14 31
  103 1.93 19
  112 2.8 28
  115 6.36 64
  116 1.75 18
  127 1.31 13
  129 4.87 49
  139 1.11 11
  141 32.45 325
  142 2.36 24
  143 1.76 18
  145 2.59 26
  158 6.15 62
  159 67.19 672
  160 5.19 52
//