ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003346
RECORD_TITLE: PROPYLENEGLYCOL MONOLAURATE; 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$NAME: PROPYLENEGLYCOL MONOLAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₃
CH$EXACT_MASS: 258.21949
CH$SMILES: CCCCCCCCCCCC(=O)OCC(C)O
CH$IUPAC: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3
CH$LINK: INCHIKEY BHIZVZJETFVJMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30881006

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$SPLASH: splash10-052e-9200000000-8c175127e06896b6bee8
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  43 80.6 806
  44 10.8 108
  45 99.99 999
  46 3.1 31
  53 2.5 25
  54 36.5 365
  55 12.1 121
  56 8.16 82
  57 71.3 713
  58 30.6 306
  59 24.4 244
  60 1 10
  67 7.4 74
  68 4.5 45
  69 18.9 189
  70 0.74 7
  71 23.6 236
  73 22.2 222
  74 23.3 233
  75 0.55 6
  76 2 20
  77 2.4 24
  81 7 70
  82 0.44 4
  83 14.4 144
  84 19.4 194
  85 14.6 146
  87 2.42 24
  88 3.8 38
  94 2.1 21
  95 8.1 81
  96 0.34 3
  97 10.1 101
  98 31.2 312
  99 5.7 57
  100 1.1 11
  101 13.8 138
  109 5.3 53
  111 5 50
  112 0.95 10
  113 7.8 78
  115 7.3 73
  118 35.1 351
  119 0.34 3
  123 2 20
  125 2.2 22
  126 6.7 67
  127 1.91 19
  129 10.1 101
  131 5.5 55
  140 2.7 27
  143 0.81 8
  154 2 20
  155 10 100
  157 5.4 54
  158 0.42 4
  171 4.8 48
  182 3.4 34
  183 38.8 388
  184 0.58 6
  185 4.7 47
  186 3.7 37
  200 6.5 65
  201 0.44 4
  211 7.1 71
  214 14 140
  215 2.5 25
  228 0.28 3
  241 4.2 42
  242 2.8 28
  243 1.1 11
  258 0.11 1
  259 1.1 11
//