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
//