ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009474
RECORD_TITLE: 22-DIHYDROCHONDRILLASTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 22-DIHYDROCHONDRILLASTEROL
CH$NAME: STIGMAST-7-EN-3-OL(3BETA,5ALPHA,24S)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C29H50O
CH$EXACT_MASS: 414.38617
CH$SMILES: [H]C(C14C)(C(CCC(C(C)C)CC)C)CCC1(C(C(CC4)2[H])=CCC(C3)(C2(CCC3([H])O)C)[H])[H]
CH$IUPAC: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20?,21-,22-,23-,25+,26-,27-,28-,29+/m0/s1
CH$LINK: CAS 18525-35-4
CH$LINK: INCHIKEY YSKVBPGQYRAUQO-DYSDFPMNSA-N
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-4561900000-33983ddc68264bf49951
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
  29 1.36 14
  41 3.82 38
  43 9.95 100
  55 5.05 51
  56 4.55 46
  67 2.08 21
  69 4.42 44
  70 1.02 10
  71 2.61 26
  79 2.67 27
  81 4.66 47
  82 1.54 15
  83 2.9 29
  84 1.25 13
  85 2.76 28
  91 3.25 33
  93 3.19 32
  94 2.14 21
  95 5.14 51
  96 1.32 13
  97 2.49 25
  105 4.24 42
  106 1.51 15
  107 6.52 65
  108 1.72 17
  109 2.93 29
  110 1.14 11
  111 1.85 19
  117 1.46 15
  119 3.96 40
  120 2.04 20
  121 3.39 34
  122 1.74 17
  123 2.34 23
  124 1.09 11
  129 1.01 10
  131 2.35 24
  133 3.95 40
  134 2.84 28
  135 4.27 43
  136 1.6 16
  137 1.6 16
  143 1.09 11
  145 3 30
  146 1.11 11
  147 4.71 47
  148 1.38 14
  149 2 20
  151 1.28 13
  157 1.2 12
  159 2.57 26
  160 1.12 11
  161 4.11 41
  163 1.17 12
  171 1.1 11
  173 1.8 18
  175 1.02 10
  178 1.52 15
  185 1.01 10
  187 1.21 12
  199 1.11 11
  201 1.58 16
  213 4.86 49
  214 1.21 12
  215 1.32 13
  218 1.81 18
  219 1.22 12
  228 1.31 13
  229 6.16 62
  230 1.37 14
  231 7.02 70
  232 3.09 31
  233 1.15 12
  246 4.39 44
  247 2.39 24
  255 29.91 299
  256 6.66 67
  257 2.1 21
  271 1.18 12
  272 1.89 19
  273 12.33 123
  274 3 30
  275 1.44 14
  381 1.26 13
  396 1.17 12
  399 16 160
  400 5 50
  401 0.85 9
  412 1.31 13
  413 0.92 9
  414 99.99 999
  415 32.04 320
  416 5.37 54
//
