ACCESSION: MSBNK-RIKEN_NPDepo-NGA02963
RECORD_TITLE: Haplamidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-001i-0910000000-a5a4f6644d948560b5db
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  71.6 1.78 1
  71.7 2.89 2
  71.8 4.44 4
  71.9 6.23 6
  72.0 7.74 7
  72.1 8.47 8
  72.2 8.33 8
  72.3 7.3 7
  72.4 5.42 5
  72.5 3.04 3
  104.5 1.55 1
  104.6 2.76 2
  104.7 4.49 4
  104.8 6.65 6
  104.9 8.77 8
  105.0 10.17 10
  105.1 10.41 10
  105.2 9.53 9
  105.3 7.72 7
  105.4 5.25 5
  105.5 2.62 2
  130.2 0.3 0
  130.3 1.61 1
  130.4 5.21 5
  130.5 12.6 12
  130.6 24.99 24
  130.7 41.92 41
  130.8 61.28 61
  130.9 80.0 79
  131.0 94.22 94
  131.1 100.0 99
  131.2 95.08 94
  131.3 79.45 79
  131.4 55.35 55
  131.5 28.55 28
  131.6 7.46 7
  131.7 0.0 0
  175.6 4.79 4
  175.7 6.91 6
  175.8 10.36 10
  175.9 14.42 14
  176.0 17.94 17
  176.1 20.12 20
  176.2 20.73 20
  176.3 19.48 19
  176.4 15.81 15
  176.5 9.96 9
  176.6 3.95 3
  192.4 0.72 0
  192.5 1.99 1
  192.6 3.89 3
  192.7 6.53 6
  192.8 10.28 10
  192.9 15.12 15
  193.0 20.04 20
  193.1 23.66 23
  193.2 25.25 25
  193.3 24.5 24
  193.4 20.83 20
  193.5 14.18 14
  193.6 6.53 6
  193.7 0.99 0
  201.7 3.49 3
  201.8 5.39 5
  201.9 7.78 7
  202.0 9.72 9
  202.1 10.66 10
  202.2 10.76 10
  202.3 10.31 10
  202.4 9.01 9
  202.5 6.42 6
  202.6 3.1 3
  218.6 1.83 1
  218.7 2.95 2
  218.8 4.52 4
  218.9 6.31 6
  219.0 7.86 7
  219.1 8.76 8
  219.2 8.82 8
  219.3 7.96 7
  219.4 6.11 6
  219.5 3.64 3
  322.8 2.19 2
  322.9 3.48 3
  323.0 4.8 4
  323.1 5.83 5
  323.2 6.31 6
  323.3 6.04 6
  323.4 4.96 4
  323.5 3.25 3
//