ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005772
RECORD_TITLE: PROMETHAZINE; EI-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$LINK: COMPTOX DTXSID7023518
CH$LINK: INCHIKEY PWWVAXIEGOYWEE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4927

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00di-9100000000-9bef9a6b83d662fc7e2c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  56 2.34 23
  70 2.01 20
  71 2.41 24
  72 99.99 999
  73 4.77 48
  152 1.19 12
  154 1.47 15
  166 1.55 16
  167 2.81 28
  179 1.01 10
  180 3.08 31
  198 5.47 55
  199 5.48 55
  200 1.03 10
  212 1.24 12
  213 4.02 40
  284 3.39 34
//