ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011925
RECORD_TITLE: (+-)-WARFARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (+-)-WARFARIN
CH$NAME: 3-(ALPHA-ACETONYLBENZYL)-4-HYDROXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₆O₄
CH$EXACT_MASS: 308.10486
CH$SMILES: N/A
CH$IUPAC: N/A
CH$LINK: CAS 81-81-2

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-014i-7692000000-72cab2a2e4c148a5d696
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  15 3.29 33
  17 1.19 12
  18 5.24 52
  27 2.05 21
  28 2.41 24
  38 1.09 11
  39 6.29 63
  41 1.19 12
  42 1.29 13
  43 34.81 348
  44 1.01 10
  50 2.17 22
  51 5.44 54
  52 1.24 12
  53 1.59 16
  58 1.42 14
  63 4.57 46
  64 3.56 36
  65 8.35 84
  67 1.41 14
  75 1.58 16
  76 2.71 27
  77 7.79 78
  78 2.46 25
  89 1.83 18
  91 3.21 32
  92 8.03 80
  93 5.17 52
  102 4.55 46
  103 5.79 58
  104 2.58 26
  105 2.07 21
  115 6.32 63
  116 1.64 16
  117 2.35 24
  120 4.59 46
  121 23.32 233
  122 2.02 20
  125 1.53 15
  127 1.04 10
  129 2.03 20
  131 4.85 49
  132 1.2 12
  133 1.89 19
  134 1.14 11
  145 5.82 58
  146 1.34 13
  147 1.62 16
  162 1.01 10
  163 1.07 11
  165 2.02 20
  173 1.58 16
  175 1.8 18
  178 1.49 15
  187 11.51 115
  188 1.63 16
  189 1.66 17
  221 1.23 12
  223 1.51 15
  249 4.29 43
  250 1.29 13
  251 8.46 85
  252 1.8 18
  263 1.88 19
  264 1.29 13
  265 99.99 999
  266 19.09 191
  267 2.36 24
  308 36.71 367
  309 7.73 77
  310 1.07 11
//