MassBank Record: MSBNK-JEOL_Ltd-JEL00031
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
130.09632 22801 38
131.09321 10117 17
136.17493 14097 24
145.08105 35535 60
146.09841 140818 237
152.16109 74401 125
157.09641 10095 17
170.06453 16410 28
172.0993 192767 324
186.07555 33008 56
187.09406 80812 136
188.0954 312467 526
194.14209 31260 53
195.18746 35322 59
198.06288 10968 18
214.07088 174816 294
215.08215 36657 62
//