MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005740
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005740
RECORD_TITLE: ACONITINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ACONITINE
CH$NAME: 16-ETHYL-1,16,19-TRIMETHOXY-4-(METHOXYMETHYL)ACONITINE-3,8,10,11,18-PENTOL 8-ACETATE10-BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C34H47NO11
CH$EXACT_MASS: 645.31491
CH$SMILES: N/A
CH$IUPAC: N/A
CH$LINK: CAS
302-27-2
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-01ox-9100030000-06918d4487901b5e5bcd
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
14 5.97 60
15 18.65 187
16 2.72 27
17 1.07 11
18 0.54 5
28 3.18 32
29 9.76 98
30 0.96 10
41 3.14 31
42 13.13 131
43 99.99 999
44 3.94 39
45 53 530
46 0.77 8
56 1.49 15
57 0.39 4
58 3.6 36
59 1.11 11
60 40 400
61 22.93 229
71 1.26 13
75 2.64 26
77 6.85 69
78 0.99 10
85 0.88 9
86 1.72 17
87 1.23 12
91 1.3 13
95 0.92 9
96 0.92 9
97 0.65 7
101 1.3 13
103 1.95 20
104 0.5 5
105 34 340
106 3.18 32
107 0.61 6
108 1.11 11
109 1.38 14
110 0.57 6
111 1.91 19
112 0.65 7
114 0.65 7
121 0.88 9
122 1.65 17
123 0.96 10
124 0.46 5
134 1 10
135 0.77 8
136 0.57 6
147 0.84 8
148 1.15 12
149 0.65 7
150 0.92 9
151 0.42 4
152 0.88 9
161 1.03 10
162 0.73 7
163 0.42 4
164 0.65 7
165 0.92 9
266 3.29 33
267 1.03 10
268 0.57 6
416 0.57 6
418 0.69 7
420 0.5 5
432 0.92 9
434 0.92 9
446 0.77 8
448 1.23 12
449 0.5 5
450 0.77 8
462 1.34 13
463 0.54 5
464 1 10
466 0.54 5
480 1.53 15
481 0.5 5
508 1.07 11
509 0.38 4
510 0.77 8
521 0.5 5
522 1.3 13
523 0.61 6
524 1.57 16
525 0.65 7
526 2.18 22
527 0.77 8
536 2.76 28
537 1.11 11
538 7.62 76
539 2.68 27
540 2.11 21
541 0.65 7
542 0.46 5
552 0.99 10
553 0.84 8
554 40 400
555 14.55 146
556 5.21 52
557 1.38 14
558 0.38 4
568 2.52 25
569 1.26 13
570 5.74 57
571 2 20
572 0.69 7
584 2.22 22
585 8.73 87
598 3.56 36
599 1.34 13
600 1 10
628 1.88 19
629 0.88 9
630 1.65 17
644 0.92 9
645 2.26 23
646 3.56 36
647 1.23 12
//