ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005843
RECORD_TITLE: MONOSTEARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: MONOSTEARIN
CH$NAME: GLYCERYL-1-STEARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₂O₄
CH$EXACT_MASS: 358.30831
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
CH$IUPAC: InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
CH$LINK: INCHIKEY VBICKXHEKHSIBG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7029160

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-007k-9530000000-e7c8759540fb484bf4af
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  42 1.03 10
  43 5.37 54
  44 2.06 21
  45 1.98 20
  55 2.69 27
  56 5.94 59
  57 18.26 183
  58 1.81 18
  60 4.35 44
  61 3.9 39
  67 1.88 19
  68 2.06 21
  69 6.05 61
  70 3.23 32
  71 13.03 130
  72 1.29 13
  73 7.92 79
  74 55.43 554
  75 14.94 149
  81 4.49 45
  82 3.3 33
  83 11.35 114
  84 52.53 525
  85 12.89 129
  86 2.38 24
  87 10.07 101
  88 1.82 18
  93 4.82 48
  94 1.61 16
  95 6.42 64
  96 4.41 44
  97 12.34 123
  98 99.99 999
  99 9.18 92
  100 1.74 17
  101 3.01 30
  103 1 10
  108 1.23 12
  109 5.32 53
  110 2.27 23
  111 11.27 113
  112 38.14 381
  113 5.62 56
  114 1 10
  115 2.21 22
  116 13.86 139
  117 2.94 29
  121 2.4 24
  122 1.21 12
  123 2.56 26
  124 1.78 18
  125 5.74 57
  126 8.7 87
  127 1.66 17
  128 1.15 12
  129 14.23 142
  130 1.65 17
  136 1.37 14
  137 1.71 17
  138 1.64 16
  139 2.46 25
  140 5.51 55
  141 1.67 17
  143 4.4 44
  147 13.06 131
  148 1.26 13
  152 1.08 11
  153 2 20
  154 18.19 182
  155 3.01 30
  157 1.59 16
  167 2.13 21
  168 7.28 73
  169 1.48 15
  171 2.24 22
  176 6.14 61
  177 1 10
  181 1.59 16
  182 6.29 63
  183 1.11 11
  185 4.68 47
  186 1.02 10
  190 2.24 22
  195 1.9 19
  196 4.55 46
  199 1.88 19
  209 1.49 15
  210 7.03 70
  211 3.42 34
  212 1 10
  213 1.86 19
  223 1.72 17
  224 3.17 32
  227 1.67 17
  228 1.02 10
  237 1.19 12
  238 6.39 64
  239 27.26 273
  240 4.51 45
  241 2.56 26
  255 1.94 19
  256 5.44 54
  257 8.94 89
  258 1.82 18
  266 11.49 115
  267 32.54 325
  268 6.34 63
  269 1.78 18
  270 5.11 51
  271 1.76 18
  284 8.62 86
  285 2.38 24
  298 6.08 61
  299 8.3 83
  300 1.88 19
  313 1.16 12
  327 9.07 91
  328 2.32 23
  340 1.13 11
  341 1.33 13
  358 0.94 9
  359 0.24 2
//