ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007711
RECORD_TITLE: METHYL PENTADECANOATE; 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$NAME: METHYL PENTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₂O₂
CH$EXACT_MASS: 256.24023
CH$SMILES: CCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
CH$LINK: CAS 7132-64-1
CH$LINK: INCHIKEY XIUXKAZJZFLLDQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4040769

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$SPLASH: splash10-05fr-9000000000-663b5b673ac469ab3ab9
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  40 1.8 18
  41 45.4 454
  42 9.8 98
  43 5.6 56
  44 3.5 35
  45 2.1 21
  53 2.1 21
  54 0.22 2
  55 30.5 305
  56 5.7 57
  57 16.7 167
  58 0.11 1
  59 11.1 111
  67 2.5 25
  68 1.3 13
  69 1.2 12
  70 2.1 21
  71 4.3 43
  73 2.1 21
  74 99.99 999
  75 15.9 159
  76 1 10
  81 1.7 17
  82 0.07 1
  83 5.9 59
  84 2.9 29
  85 2 20
  87 5.43 54
  88 4.5 45
  95 1.2 12
  97 3.9 39
  98 0.18 2
  101 4 40
  111 1.2 12
  115 1.3 13
  129 0.31 3
  130 0.6 6
  143 6.7 67
  144 0.7 7
  157 0.2 2
  158 0.3 3
  171 1.2 12
  172 0.2 2
  185 0.1 1
  186 0.2 2
  199 1.6 16
  200 0.2 2
  213 0.31 3
  214 0.5 5
  225 1.6 16
  226 0.3 3
  227 0.08 1
  256 1.9 19
  257 0.5 5
//