ACCESSION: MSBNK-RIKEN_NPDepo-NGA02962
RECORD_TITLE: Haplamidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Putrescine alkaloids, Bisamide alkaloids

CH$NAME: Haplamidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₀H₂₂N₂O₂
CH$EXACT_MASS: 322.4105
CH$SMILES: OC(/C=C/c1ccccc1)=NCCCCN=C(O)c1ccccc1
CH$IUPAC: InChI=1S/C20H22N2O2/c23-19(14-13-17-9-3-1-4-10-17)21-15-7-8-16-22-20(24)18-11-5-2-6-12-18/h1-6,9-14H,7-8,15-16H2,(H,21,23)(H,22,24)/b14-13+
CH$LINK: CAS 64223-54-7
CH$LINK: INCHIKEY XYVZRTYPQHUZGY-BUHFOSPRSA-N
CH$LINK: PUBCHEM CID:1755965

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0089-0923000000-69b3658a364824d2def9
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  71.5 1.75 1
  71.6 3.38 3
  71.7 5.72 5
  71.8 8.61 8
  71.9 11.42 11
  72.0 13.48 13
  72.1 14.55 14
  72.2 14.65 14
  72.3 13.46 13
  72.4 10.54 10
  72.5 6.25 6
  72.6 2.15 2
  104.5 1.79 1
  104.6 3.06 3
  104.7 4.44 4
  104.8 5.91 5
  104.9 7.46 7
  105.0 8.78 8
  105.1 9.33 9
  105.2 8.88 8
  105.3 7.48 7
  105.4 5.27 5
  105.5 2.73 2
  130.2 0.64 0
  130.3 1.64 1
  130.4 4.92 4
  130.5 12.07 12
  130.6 24.01 23
  130.7 40.89 40
  130.8 61.65 61
  130.9 82.28 82
  131.0 96.45 96
  131.1 100.0 99
  131.2 93.31 93
  131.3 77.83 77
  131.4 54.49 54
  131.5 27.84 27
  131.6 6.78 6
  131.7 0.0 0
  174.7 2.44 2
  174.8 4.1 4
  174.9 6.21 6
  175.0 8.24 8
  175.1 9.6 9
  175.2 10.06 10
  175.3 9.81 9
  175.4 9.02 9
  175.5 7.87 7
  175.6 7.29 7
  175.7 9.12 9
  175.8 14.58 14
  175.9 22.57 22
  176.0 30.02 29
  176.1 34.32 34
  176.2 34.9 34
  176.3 32.06 32
  176.4 25.69 25
  176.5 16.36 16
  176.6 6.88 6
  176.7 0.66 0
  192.4 1.43 1
  192.5 3.87 3
  192.6 7.65 7
  192.7 13.32 13
  192.8 21.52 21
  192.9 31.84 31
  193.0 42.17 42
  193.1 49.6 49
  193.2 52.21 52
  193.3 49.48 49
  193.4 41.27 41
  193.5 28.25 28
  193.6 13.71 13
  193.7 2.74 2
  200.7 2.07 2
  200.8 3.56 3
  200.9 5.1 5
  201.0 6.33 6
  201.1 7.03 7
  201.2 7.11 7
  201.3 6.58 6
  201.4 5.57 5
  201.5 4.71 4
  201.6 4.99 4
  201.7 7.12 7
  201.8 10.91 10
  201.9 15.59 15
  202.0 20.12 20
  202.1 23.41 23
  202.2 24.63 24
  202.3 23.2 23
  202.4 18.68 18
  202.5 11.63 11
  202.6 4.44 4
  218.4 1.35 1
  218.5 3.25 3
  218.6 6.05 6
  218.7 10.11 10
  218.8 15.88 15
  218.9 22.96 22
  219.0 29.62 29
  219.1 33.86 33
  219.2 34.78 34
  219.3 32.44 32
  219.4 26.67 26
  219.5 17.72 17
  219.6 8.0 7
  219.7 1.17 1
  322.3 0.4 0
  322.4 1.52 1
  322.5 4.13 4
  322.6 8.77 8
  322.7 16.06 16
  322.8 27.02 26
  322.9 41.88 41
  323.0 58.07 58
  323.1 71.18 71
  323.2 78.1 78
  323.3 77.39 77
  323.4 67.22 67
  323.5 47.22 47
  323.6 23.06 23
  323.7 4.47 4
//