ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009229
RECORD_TITLE: NONYL LACTATE; 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$NAME: NONYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₃
CH$EXACT_MASS: 216.17254
CH$SMILES: CCCCCCCCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-10-15-12(14)11(2)13/h11,13H,3-10H2,1-2H3
CH$LINK: INCHIKEY XYQKYLPARUIQOX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40515406

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$SPLASH: splash10-052g-9000000000-6087fa7586102d199d0a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 3.8 38
  17 1.2 12
  18 1.8 18
  19 0.17 2
  26 1.4 14
  27 18 180
  29 23.2 232
  30 0.12 1
  31 3.2 32
  39 8.7 87
  41 48.7 487
  42 1.39 14
  43 94.8 948
  44 5.1 51
  45 99.99 999
  46 0.22 2
  53 2.6 26
  54 2.8 28
  55 32.9 329
  56 2.12 21
  57 47.5 475
  58 2 20
  63 3.9 39
  67 0.26 3
  68 3.9 39
  69 11.9 119
  70 12 120
  71 3.81 38
  72 2.4 24
  75 1.8 18
  81 1.1 11
  82 0.28 3
  83 7.8 78
  84 6.4 64
  85 22.3 223
  86 0.19 2
  90 1.5 15
  91 6 60
  96 1.3 13
  97 0.64 6
  98 6.6 66
  126 7.2 72
  127 1.2 12
  171 1.3 13
//