ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007712
RECORD_TITLE: METHYL HEXADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL HEXADECANOATE
CH$NAME: METHYL PALMITATE
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$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-05fr-9000000000-baccd6187fe64ba0fb81
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  40 1.3 13
  41 42 420
  42 9 90
  43 5.74 57
  44 3 30
  45 1.8 18
  53 1.8 18
  54 0.21 2
  55 30.9 309
  56 5.7 57
  57 18.7 187
  58 0.12 1
  59 10.3 103
  67 2.7 27
  68 1.3 13
  69 1.21 12
  70 2.2 22
  71 4.9 49
  73 2.1 21
  74 99.99 999
  75 17.7 177
  76 1 10
  81 1.7 17
  82 0.07 1
  83 5.7 57
  84 2.6 26
  85 2 20
  87 4.95 50
  88 4 40
  95 1 10
  96 0.5 5
  97 0.34 3
  98 1.5 15
  101 3.1 31
  111 0.9 9
  115 0.11 1
  116 0.4 4
  129 2.4 24
  130 0.5 5
  143 0.49 5
  144 0.5 5
  157 0.5 5
  158 0.1 1
  171 0.11 1
  172 0.2 2
  185 1.1 11
  186 0.2 2
  199 0.1 1
  200 0.1 1
  213 0.4 4
  214 0.1 1
  227 0.22 2
  228 0.4 4
  239 1 10
  240 0.2 2
  241 0.06 1
  242 0.1 1
  270 1.5 15
  271 0.4 4
//