ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007099
RECORD_TITLE: ISOPENTYL LAURATE; 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$NAME: ISOPENTYL LAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
CH$LINK: INCHIKEY FVKRIDSRWFEQME-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3064221

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$SPLASH: splash10-00di-9000000000-f04bbe3cb1e2c9229262
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 5.71 57
  29 10.56 106
  39 3.73 37
  41 22.23 222
  42 7.69 77
  43 47 470
  44 1.25 13
  53 1.15 12
  54 1.21 12
  55 22.23 222
  56 3.84 38
  57 13.77 138
  60 4.43 44
  61 1.47 15
  67 1.26 13
  68 1.01 10
  69 6.66 67
  70 99.99 999
  71 40.1 401
  72 1.73 17
  73 4.94 49
  81 1.09 11
  83 2.9 29
  84 1.51 15
  85 3.72 37
  87 1.25 13
  95 1.3 13
  97 1.81 18
  98 1.77 18
  101 1.05 11
  115 1.78 18
  129 1.44 14
  143 1.14 11
  157 1.22 12
  183 9.82 98
  184 1.17 12
  200 2.99 30
  201 4.3 43
//