MassBank Record: MPR00057

Mass Spectrum

Chemical Structure

ACCESSION: MPR00057
RECORD_TITLE: Evodiamine; LC-ESI-ITFT; MS2; pos
DATE: 2016.01.25 (Created 2016.01.25)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: Evodiamine
COMMENT: Standard
CH$NAME: Evodiamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C19H17N3O
CH$EXACT_MASS: 303.13716
CH$SMILES: c(c5)cc(n1)c(c5)c(C4)c1C([H])(N(C)2)N(C4)C(=O)c(c3)c(ccc3)2
CH$IUPAC: InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
CH$LINK: CAS 518-17-2
CH$LINK: KEGG C09187
CH$LINK: NIKKAJI J9.430G
AC$INSTRUMENT: LTQ Orbitrap XL, ThermoFisher Scientific
AC$INSTRUMENT_TYPE: LC-ESI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: BASE_PEAK 304.14
MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  106.064 86.388 9
  106.065 108.073 11
  106.0652 81.579 8
  116.048 77.453 8
  116.049 124.546 12
  116.0492 132.694 13
  116.050 89.552 9
  118.063 68.374 7
  118.064 226.863 23
  118.0642 404.686 40
  118.065 551.297 55
  118.0652 456.820 46
  118.066 274.223 27
  118.0662 108.102 11
  120.079 84.312 8
  120.080 183.489 18
  120.0802 289.599 29
  120.081 303.681 30
  120.0812 202.322 20
  120.082 103.718 10
  134.054 61.530 6
  134.055 136.486 14
  134.056 220.496 22
  134.0562 226.676 23
  134.057 255.821 26
  134.058 689.781 69
  134.0582 2238.593 224
  134.059 4222.147 422
  134.060 6115.381 611
  134.0602 5510.226 550
  134.061 3401.442 340
  134.062 1465.212 146
  134.0622 396.882 40
  134.063 104.532 10
  144.075 196.078 20
  144.076 324.357 32
  144.0762 405.051 40
  144.077 374.398 37
  144.078 747.085 75
  144.079 2455.826 245
  144.0792 5630.105 562
  144.080 9050.913 904
  144.081 10000.000 999
  144.0812 6847.247 684
  144.082 3601.073 360
  144.083 1058.609 106
  144.084 260.448 26
  144.0842 77.271 8
  145.083 78.846 8
  145.084 112.609 11
  145.085 98.914 10
  145.0852 60.175 6
  158.096 58.927 6
  158.0962 70.294 7
  161.065 82.160 8
  161.0652 126.506 13
  161.066 116.857 12
  161.067 226.739 23
  161.068 740.401 74
  161.069 2132.114 213
  161.070 3602.437 360
  161.071 4573.030 457
  161.072 3491.271 349
  161.0722 2025.542 202
  161.073 668.354 67
  161.074 176.263 18
  162.072 65.803 7
  162.073 125.480 13
  162.074 183.058 18
  162.075 166.551 17
  162.0752 102.862 10
  171.084 93.102 9
  171.085 160.436 16
  171.086 186.157 19
  171.087 203.984 20
  171.088 519.575 52
  171.089 1713.408 171
  171.090 3416.010 341
  171.091 5184.235 518
  171.092 5034.864 503
  171.093 3206.759 320
  171.094 1510.251 151
  171.095 418.315 42
  171.096 111.619 11
  171.097 58.027 6
  187.083 72.286 7
  187.084 216.322 22
  187.085 371.619 37
  187.086 488.257 49
  187.087 388.478 39
  187.088 229.117 23
  187.089 81.697 8
  275.117 73.107 7
  287.114 116.950 12
  287.116 188.980 19
  287.118 209.132 21
  287.120 141.550 14
  287.122 72.077 7
  288.107 72.291 7
  288.109 79.719 8
//