ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001862
RECORD_TITLE: OCTADECYL HEXADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: OCTADECYL HEXADECANOATE
CH$NAME: STEARYL PALMITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₄H₆₈O₂
CH$EXACT_MASS: 508.52193
CH$SMILES: C(CCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O)CCCCCCC
CH$IUPAC: InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
CH$LINK: INCHIKEY BILPUZXRUDPOOF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026048

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0a4l-9000000000-97dfbe411b8f4a98a387
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  41 40.4 404
  42 12.5 125
  43 99.99 999
  44 4.7 47
  53 1.5 15
  54 6.1 61
  55 48.4 484
  56 19.1 191
  57 82.4 824
  58 4.1 41
  60 8.8 88
  61 13.5 135
  67 7.2 72
  68 8.9 89
  69 34.3 343
  70 14.3 143
  71 35.1 351
  72 2 20
  73 11.8 118
  74 1.4 14
  81 5.5 55
  82 12.3 123
  83 28.2 282
  84 10.1 101
  85 18.2 182
  86 1.4 14
  87 2.8 28
  95 3.6 36
  96 6.4 64
  97 24.2 242
  98 7.7 77
  99 3.6 36
  101 2.1 21
  109 1.6 16
  110 2.4 24
  111 10.7 107
  112 3.3 33
  113 1.9 19
  115 2.1 21
  116 1.7 17
  124 1.4 14
  125 5.5 55
  126 1.7 17
  127 1 10
  129 3.7 37
  139 2.3 23
  140 1.2 12
  153 1.3 13
  157 1.1 11
  171 1 10
  185 1 10
  213 1.6 16
  224 1.5 15
  239 3.2 32
  252 5.9 59
  253 1.5 15
  256 6.3 63
  257 35.4 354
  258 6.5 65
  297 2.1 21
  508 3.5 35
  509 1.3 13
//