ACCESSION: MSBNK-JEOL_Ltd-JEL00031
RECORD_TITLE: Propazine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
DATE: 2016.01.19 (Created 2012.06.18)
AUTHORS: JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: Propazine
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₉H₁₆ClN₅
CH$EXACT_MASS: 229.10942
CH$SMILES: CC(C)Nc(n1)nc(NC(C)C)nc(Cl)1
CH$IUPAC: InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
CH$LINK: INCHIKEY WJNRPILHGGKWCK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021196
CH$LINK: PUBCHEM CID:4937

AC$INSTRUMENT: JMS-S3000
AC$INSTRUMENT_TYPE: MALDI-TOFTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_M/Z 230.1167

PK$SPLASH: splash10-0006-9300000000-176a5eb201c04c0ade17
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15.10324 85224 143
  26.11004 35214 59
  27.12459 288083 485
  28.12167 168887 284
  38.1256 17169 29
  39.14078 149887 252
  40.14457 42263 71
  41.14911 360936 607
  42.15027 200935 338
  43.1525 593659 999
  44.16048 55366 93
  53.12724 48167 81
  55.15489 13411 23
  58.18374 53098 89
  62.09837 79009 133
  67.14538 27357 46
  68.14496 299889 505
  69.15429 103680 174
  79.13192 33574 56
  83.16486 37571 63
  85.18317 14957 25
  87.07885 27620 46
  93.13651 17703 30
  94.16341 33309 56
  95.16103 22788 38
  104.10714 111988 188
  105.13156 11601 20
  108.18378 10519 18
  110.15919 42826 72
  129.07633 32623 55
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//