ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003344
RECORD_TITLE: ETHYLENEGLYCOL 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$NAME: ETHYLENEGLYCOL MONOLAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₃
CH$EXACT_MASS: 244.20384
CH$SMILES: CCCCCCCCCCCC(=O)OCCO
CH$IUPAC: InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15/h15H,2-13H2,1H3
CH$LINK: INCHIKEY CTXGTHVAWRBISV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0063363

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$SPLASH: splash10-0adl-9210000000-f16c5f8fc58a3e593be2
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  44 8.9 89
  45 14.7 147
  53 4.5 45
  54 46.6 466
  55 13.5 135
  56 65.5 655
  57 0.54 5
  58 5.4 54
  59 37.5 375
  60 14.9 149
  67 0.67 7
  68 4.5 45
  69 22.8 228
  70 7 70
  71 2.43 24
  73 38.4 384
  74 26.5 265
  75 4.7 47
  77 0.22 2
  81 5.3 53
  82 3 30
  83 13.8 138
  84 1.99 20
  85 17.8 178
  86 17.9 179
  87 26.5 265
  88 0.3 3
  95 5.7 57
  97 10.2 102
  98 30 300
  99 1.41 14
  101 6.5 65
  104 19.3 193
  109 3.2 32
  111 0.5 5
  112 9.4 94
  115 6.4 64
  117 6 60
  126 0.53 5
  129 12.1 121
  138 2.1 21
  140 3.8 38
  143 0.48 5
  155 2.4 24
  157 9.1 91
  171 4.2 42
  182 0.59 6
  183 41.7 417
  184 5.9 59
  200 17.8 178
  201 0.79 8
  214 4.1 41
  226 13.4 134
  227 59.4 594
  228 0.89 9
  244 2.5 25
  245 15.5 155
  246 2.7 27
//