ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006141
RECORD_TITLE: HEPTYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL DECANOATE
CH$NAME: HEPTYL CAPRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCC(=O)OCCCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-9-10-11-13-15-17(18)19-16-14-12-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY MPLLSYWBBPPERF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30208895

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0aba-9100000000-d79f5afc666152cb16fc
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  29 4.03 40
  41 8.15 82
  42 7.25 73
  43 41.69 417
  44 1.33 13
  54 3.52 35
  55 18.04 180
  56 69.96 700
  57 99.99 999
  58 4.27 43
  60 14.6 146
  61 75.07 751
  62 1.76 18
  67 1.78 18
  68 12.01 120
  69 33.11 331
  70 68.91 689
  71 20.22 202
  72 1.18 12
  73 18.98 190
  74 2.27 23
  81 2.89 29
  82 1.62 16
  83 10.57 106
  84 5.1 51
  85 6.41 64
  87 5.55 56
  89 2.57 26
  95 2.56 26
  96 1.09 11
  97 3.67 37
  98 88.84 888
  99 7.42 74
  101 2.13 21
  103 1.73 17
  110 1.23 12
  111 1.35 14
  112 1.56 16
  115 2.88 29
  116 1.72 17
  129 7.67 77
  143 2.58 26
  155 12.66 127
  156 1.48 15
  172 5.26 53
  173 35.52 355
  174 3.8 38
  270 0.52 5
//