ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007104
RECORD_TITLE: PROPYL PALMITATE; 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$NAME: PROPYL PALMITATE
CH$NAME: PROPYL HEXADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₈O₂
CH$EXACT_MASS: 298.28718
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY BEKZXQKGTDVSKX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5073955

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$SPLASH: splash10-06r6-9210000000-da8f8cd6f4d3ec14db77
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  27 12.27 123
  29 20.24 202
  31 1.68 17
  39 5.25 53
  41 54.46 545
  42 23.43 234
  43 99.99 999
  44 2.43 24
  45 1.62 16
  53 2.02 20
  54 3.31 33
  55 41.04 410
  56 10.85 109
  57 43.78 438
  58 3.04 30
  59 4.03 40
  60 43.97 440
  61 97.06 971
  62 1.98 20
  67 4.86 49
  68 3.15 32
  69 23.82 238
  70 4.75 48
  71 20.89 209
  72 1.27 13
  73 42 420
  74 3.48 35
  75 1.26 13
  79 1.25 13
  81 4.4 44
  82 2.38 24
  83 15.34 153
  84 6.05 61
  85 10.94 109
  87 11 110
  95 3.87 39
  96 1.85 19
  97 11.8 118
  98 5.98 60
  99 2.24 22
  101 3.68 37
  102 51.88 519
  103 15.74 157
  109 1.94 19
  111 4.18 42
  112 1.93 19
  113 1.06 11
  115 34.96 350
  116 3.02 30
  123 1.16 12
  125 2.5 25
  129 10.85 109
  130 1.08 11
  139 1.49 15
  143 1.83 18
  144 1.02 10
  157 4.3 43
  158 1.01 10
  171 10.32 103
  172 1.12 11
  185 2.01 20
  199 1.82 18
  213 5.7 57
  227 2.15 22
  237 1.05 11
  239 25.64 256
  240 3.87 39
  255 3.48 35
  256 4.99 50
  257 24.85 249
  258 3.61 36
  298 15.53 155
  299 2.95 30
//