ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005784
RECORD_TITLE: PROMETHAZINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: PROMETHAZINE
CH$NAME: 10-(2-DIMETHYLAMINOPROPYL)PHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀N₂S
CH$EXACT_MASS: 284.13472
CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
CH$LINK: CAS 60-87-7
CH$LINK: INCHIKEY PWWVAXIEGOYWEE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023518

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0079-8290000000-fe5d6b4e9f62b7270798
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  52 2.85 29
  56 2.85 29
  58 4.84 48
  60 1.81 18
  61 2.33 23
  63 2.33 23
  70 5.8 58
  71 11.68 117
  72 99.99 999
  73 5.88 59
  74 4.76 48
  79 4.24 42
  81 2.16 22
  86 80.95 810
  87 3.03 30
  88 1.99 20
  91 1.64 16
  93 2.16 22
  99 7.79 78
  100 14.11 141
  107 1.21 12
  111 1.73 17
  112 3.03 30
  113 1.47 15
  114 1.9 19
  136 1.64 16
  137 2.59 26
  150 1.55 16
  153 1.47 15
  170 1.03 10
  183 1.47 15
  184 1.81 18
  198 6.66 67
  199 20.17 202
  200 31.25 313
  201 6.06 61
  202 3.11 31
  210 1.9 19
  212 2.59 26
  213 21.64 216
  214 35.84 358
  215 6.32 63
  216 2.77 28
  226 1.73 17
  227 1.73 17
  228 4.5 45
  229 1.55 16
  230 1.73 17
  239 2.94 29
  240 11.42 114
  241 3.98 40
  242 9.35 94
  243 1.99 20
  244 2.16 22
  254 1.73 17
  255 2.16 22
  256 1.55 16
  270 2.25 23
  283 10.21 102
  284 26.83 268
  285 48.48 485
  286 9.78 98
  287 2.94 29
  313 5.19 52
//