ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004113
RECORD_TITLE: ORTHO-CHLORO-3-HYDROXYDIAZEPAM; 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$NAME: ORTHO-CHLORO-3-HYDROXYDIAZEPAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂Cl₂N₂O₂
CH$EXACT_MASS: 334.02758
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40862442

AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-0a4i-1219000000-503deaa645713d28cd79
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  15 1.7 17
  18 6.5 65
  39 1.3 13
  50 1.5 15
  51 2.6 26
  63 2.2 22
  69 1.8 18
  74 0.16 2
  75 5.1 51
  76 2.7 27
  77 3.2 32
  88 0.19 2
  89 1.7 17
  99 1.7 17
  100 1.4 14
  101 0.1 1
  102 5.4 54
  103 2 20
  110 1.1 11
  111 0.45 5
  112 1.7 17
  113 2.2 22
  114 1.5 15
  117 0.26 3
  117.5 1.8 18
  121.5 1.2 12
  124 1.5 15
  125 0.23 2
  126 1.3 13
  127 1.3 13
  132 1 10
  135 0.12 1
  136 1.2 12
  137 1.3 13
  138 4.8 48
  139 0.36 4
  140 4.1 41
  141 1.2 12
  150 2.7 27
  151 0.34 3
  152 3.3 33
  153 1.3 13
  154 1 10
  163 0.24 2
  164 2.7 27
  165 4.7 47
  166 1.6 16
  167 0.14 1
  176 1 10
  177 4.8 48
  178 2.2 22
  179 0.14 1
  191 1.6 16
  192 1.7 17
  193 1.8 18
  195 0.24 2
  199 1.7 17
  200 1 10
  201 1 10
  214 0.16 2
  226 1.3 13
  227 2.2 22
  228 3 30
  229 0.13 1
  235 1.1 11
  241 1 10
  242 1.2 12
  243 0.18 2
  255 4.5 45
  256 1.6 16
  257 1.5 15
  261 0.11 1
  262 2.5 25
  263 1.3 13
  264 1.6 16
  269 0.24 2
  270 1 10
  271 1.9 19
  273 1.5 15
  275 0.1 1
  277 1.2 12
  289 5.4 54
  290 3.4 34
  291 0.61 6
  292 2.3 23
  293 2.5 25
  299 1.6 16
  305 99.99 999
  306 17 170
  307 65 650
  308 10.2 102
  309 1.04 10
  310 1.8 18
  334 13 130
  335 2.6 26
  336 0.8 8
  337 1.6 16
  338 1.4 14
//