ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007103
RECORD_TITLE: METHYL 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$NAME: METHYL PALMITATE
CH$NAME: METHYL HEXADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
CH$LINK: CAS 112-39-0
CH$LINK: INCHIKEY FLIACVVOZYBSBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4029149

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$SPLASH: splash10-05g3-9000000000-a2b255dd0fdd1efd2edc
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  15 3.06 31
  26 1.28 13
  27 7.18 72
  29 1.63 16
  31 1.25 13
  39 5.74 57
  41 45.59 456
  42 9.53 95
  43 49.22 492
  53 2.68 27
  54 2.8 28
  55 34.77 348
  56 5.88 59
  57 20.57 206
  59 14.27 143
  67 2.58 26
  68 1.94 19
  69 14.99 150
  70 2.45 25
  71 4.75 48
  73 1.91 19
  74 99.99 999
  75 17.27 173
  81 2.03 20
  82 1.22 12
  83 7.33 73
  84 3.31 33
  85 2.19 22
  87 61.27 613
  88 5.41 54
  95 1 10
  97 4.51 45
  98 1.97 20
  101 4.76 48
  111 2.01 20
  115 1.81 18
  125 1.03 10
  129 4.12 41
  143 8.37 84
  144 1.09 11
  171 1.67 17
  185 2.35 24
  199 1.52 15
  227 4.7 47
  228 1.01 10
  239 3.24 32
  241 1.43 14
  270 6.86 69
  271 1.34 13
//