MassBank Record: MSBNK-JEOL_Ltd-JEL00029
ACCESSION: MSBNK-JEOL_Ltd-JEL00029
RECORD_TITLE: Prometon; 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$NAME: Prometon
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C10H19N5O
CH$EXACT_MASS: 225.15896
CH$SMILES: COc(n1)nc(NC(C)C)nc(NC(C)C)1
CH$IUPAC: InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
CH$LINK: INCHIKEY
ISEUFVQQFVOBCY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022341
CH$LINK: PUBCHEM
CID:4928
AC$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 226.16624
PK$SPLASH: splash10-00kf-9400000000-42c576592c77c07f8d88
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
14.08854 74575 50
15.10036 677491 456
26.12753 96821 65
27.1221 715513 482
28.11971 449955 303
29.11558 84992 57
30.1394 59725 40
38.14353 46291 31
39.1372 377106 254
40.1366 113738 77
41.14003 873301 588
42.13944 549480 370
43.14517 1482747 999
44.14478 225860 152
53.1217 71196 48
54.13452 43351 29
55.1425 48459 33
56.15216 63779 43
57.15408 208743 141
58.15148 556207 375
67.1441 79953 54
68.13428 511268 344
69.13272 548194 369
70.14168 41534 28
75.16268 73436 49
82.15916 35184 24
83.14913 198407 134
84.15667 58926 40
85.15484 63946 43
86.14016 42080 28
94.13157 88331 60
95.13996 37677 25
100.14367 259579 175
105.67687 38603 26
108.13717 31470 21
109.12474 34469 23
110.15536 83282 56
111.14021 148227 100
112.15683 76650 52
125.11936 132396 89
126.14199 92072 62
127.1408 35482 24
136.1124 46666 31
137.12971 35731 24
140.13795 30786 21
141.114 231427 156
142.13243 225936 152
152.13061 105971 71
153.12973 131535 89
154.15592 53055 36
166.11138 79282 53
168.12871 579307 390
169.14711 50430 34
180.0995 45049 30
182.1244 112717 76
183.12385 329442 222
184.11849 657593 443
194.11729 76001 51
195.13085 97292 66
196.11756 126169 85
208.08763 59265 40
210.09665 661726 446
211.09022 105308 71
//