ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003347
RECORD_TITLE: PROPYLENEGLYCOL MONOOLEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: PROPYLENEGLYCOL MONOOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₀O₃
CH$EXACT_MASS: 340.29775
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(C)O
CH$IUPAC: InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3/b11-10-
CH$LINK: INCHIKEY ZVTDEEBSWIQAFJ-KHPPLWFESA-N
CH$LINK: COMPTOX DTXSID40892305

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01oy-9000000000-e449ae0b2dac968d2e26
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  43 74.8 748
  44 60.8 608
  45 99.99 999
  46 6.5 65
  54 17.9 179
  56 13.8 138
  57 8.1 81
  58 1.05 11
  59 13.4 134
  60 75 750
  61 4.6 46
  67 1.02 10
  68 4.7 47
  69 9.9 99
  70 3.3 33
  71 0.57 6
  73 6.7 67
  74 4.3 43
  75 2 20
  76 0.31 3
  77 2.7 27
  79 4.2 42
  80 2.8 28
  81 0.89 9
  82 5.7 57
  83 7.3 73
  84 5.4 54
  85 0.4 4
  87 3.5 35
  93 3.3 33
  94 2.9 29
  95 0.66 7
  96 4.6 46
  97 5.4 54
  98 10.9 109
  100 0.27 3
  101 2.6 26
  109 3.6 36
  110 3.1 31
  111 0.29 3
  112 3.3 33
  113 2.4 24
  118 4.7 47
  123 0.2 2
  129 2.4 24
  155 1.5 15
  239 4.1 41
  262 0.56 6
  263 3.9 39
  264 6.3 63
  265 3.1 31
  270 0.2 2
  279 1.1 11
  280 1 10
  325 1.1 11
  326 0.17 2
  338 2.1 21
  340 1 10
//