ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009225
RECORD_TITLE: HEXYL 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$NAME: HEXYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₃
CH$EXACT_MASS: 174.12559
CH$SMILES: CCCCCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C9H18O3/c1-3-4-5-6-7-12-9(11)8(2)10/h8,10H,3-7H2,1-2H3
CH$LINK: INCHIKEY KDPXOGYCOOUWOS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:519757

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$SPLASH: splash10-0005-9000000000-0bf6b012463f8a59e474
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  19 1.4 14
  27 12.2 122
  29 1.04 10
  31 1.2 12
  39 5.4 54
  41 18.5 185
  42 0.68 7
  43 55.3 553
  44 3.4 34
  45 99.99 999
  46 0.19 2
  55 9.1 91
  56 11.2 112
  57 7.5 75
  63 0.17 2
  69 3.6 36
  75 1.9 19
  84 13.8 138
  85 0.98 10
  91 2.3 23
  113 1.2 12
//