ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006249
RECORD_TITLE: METHYL PALMITATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00dr-9100000000-683d8a1de530bbfa7510
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  41 13.47 135
  42 2.62 26
  43 14.91 149
  44 0.44 4
  55 11.31 113
  56 2.73 27
  57 10.01 100
  58 0.54 5
  59 3.36 34
  67 1.25 13
  68 0.8 8
  69 7.24 72
  70 1.59 16
  71 3.95 40
  72 0.26 3
  73 1.05 11
  74 99.99 999
  75 20.82 208
  81 1.12 11
  82 0.71 7
  83 4.87 49
  84 2.5 25
  85 2.01 20
  87 58.38 584
  88 4.9 49
  89 0.4 4
  97 3.96 40
  98 2.25 23
  99 0.47 5
  101 4.49 45
  102 0.52 5
  111 1.6 16
  112 0.57 6
  115 1.81 18
  116 0.86 9
  129 5.09 51
  130 1.24 12
  143 12.46 125
  144 1.24 12
  157 1.28 13
  158 0.33 3
  171 2.9 29
  172 0.49 5
  185 3.05 31
  186 0.34 3
  199 2.48 25
  200 0.35 4
  227 6.22 62
  228 0.96 10
  239 3.84 38
  240 0.63 6
  241 1.5 15
  270 13.84 138
  271 2.7 27
  272 0.29 3
//