ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002814
RECORD_TITLE: NARCEINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: NARCEINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₇NO₈
CH$EXACT_MASS: 445.17367
CH$SMILES: CN(C)CCc(c1)c(CC(=O)c(c3)c(C(O)=O)c(OC)c(OC)c3)c(OC)c(O2)c(OC2)1
CH$IUPAC: InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)
CH$LINK: INCHIKEY DEXMFYZAHXMZNM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40156833

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9210000000-c6c3c934ee19f8db8182
PK$NUM_PEAK: 189
PK$PEAK: m/z int. rel.int.
  35 1 10
  36 3.9 39
  37 0.9 9
  38 0.22 2
  39 2.4 24
  40 1 10
  41 4.4 44
  42 0.42 4
  43 3.4 34
  44 8.2 82
  45 3.6 36
  46 0.12 1
  49 0.2 2
  50 1.4 14
  51 1.9 19
  52 0.04 0
  53 1 10
  54 0.9 9
  55 3.1 31
  56 0.02 0
  57 3.1 31
  58 99.99 999
  59 5.2 52
  60 0.01 0
  61 0.4 4
  62 0.2 2
  63 0.9 9
  64 0.01 0
  65 1.4 14
  66 0.9 9
  67 2 20
  68 0.09 1
  69 2.1 21
  70 1.9 19
  71 2 20
  72 0.04 0
  73 1.1 11
  74 1.2 12
  75 2 20
  76 0.22 2
  77 3.1 31
  78 1.4 14
  79 1.8 18
  80 0.09 1
  81 1.4 14
  82 1 10
  83 1.4 14
  84 0.01 0
  85 0.9 9
  86 0.4 4
  87 0.9 9
  88 0.07 1
  89 1.4 14
  90 1.2 12
  91 2.1 21
  92 0.01 0
  93 1.2 12
  94 0.9 9
  95 0.9 9
  96 0.12 1
  97 0.4 4
  98 1.2 12
  99 0.2 2
  101 0.04 0
  102 1 10
  103 1.1 11
  104 1 10
  105 0.16 2
  106 1.4 14
  107 1.1 11
  108 0.4 4
  109 0.01 0
  110 0.2 2
  111 0.4 4
  112 0.4 4
  113 0.11 1
  115 1.2 12
  116 0.4 4
  117 1.6 16
  118 0.11 1
  119 1.2 12
  120 1 10
  121 1.4 14
  122 0.11 1
  123 0.4 4
  124 0.4 4
  125 0.4 4
  126 0.09 1
  127 0.7 7
  128 0.6 6
  129 0.4 4
  145 0.04 0
  146 0.9 9
  147 1.4 14
  148 1.2 12
  149 0.12 1
  150 1 10
  151 1.2 12
  152 1.2 12
  153 0.11 1
  161 1.1 11
  162 0.9 9
  163 1.6 16
  164 0.09 1
  165 2.9 29
  166 1 10
  167 0.9 9
  174 0.04 0
  175 1.1 11
  176 2.1 21
  177 1.2 12
  178 0.13 1
  179 0.9 9
  180 0.4 4
  187 0.2 2
  188 0.04 0
  189 0.5 5
  190 1.6 16
  191 1.7 17
  192 0.12 1
  193 1.8 18
  194 0.9 9
  195 0.4 4
  196 0.05 1
  197 0.1 1
  202 0.2 2
  203 1.7 17
  204 0.15 2
  205 0.9 9
  206 0.4 4
  207 0.2 2
  208 0.01 0
  217 0.6 6
  218 2.1 21
  219 1.8 18
  220 0.16 2
  221 1 10
  222 0.7 7
  223 0.9 9
  224 0.04 0
  231 0.2 2
  232 1 10
  233 0.9 9
  234 1.09 11
  235 2.1 21
  236 2.2 22
  237 1 10
  238 0.09 1
  239 0.1 1
  248 0.2 2
  249 0.5 5
  250 0.04 0
  251 0.1 1
  264 0.1 1
  265 0.3 3
  266 0.03 0
  267 0.2 2
  279 0.2 2
  280 0.4 4
  281 0.01 0
  290 0.2 2
  291 0.2 2
  292 0.1 1
  306 0.01 0
  307 0.4 4
  308 0.1 1
  323 0.2 2
  324 0.01 0
  350 0.1 1
  351 0.2 2
  352 1.2 12
  353 0.04 0
  354 0.1 1
  364 0.1 1
  365 0.2 2
  366 0.02 0
  367 0.1 1
  380 0.4 4
  381 0.2 2
  382 0.09 1
  383 0.2 2
  412 0.2 2
  424 0.2 2
  425 0.01 0
  426 0.4 4
  427 3.8 38
  428 1.2 12
  429 0.04 0
  445 0.2 2
//