ACCESSION: MSBNK-RIKEN_NPDepo-NGA02961
RECORD_TITLE: Haplamidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-00di-0219000000-8436530372e0128dce4d
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  130.5 1.8 1
  130.6 3.36 3
  130.7 5.47 5
  130.8 8.13 8
  130.9 10.98 10
  131.0 13.14 13
  131.1 13.8 13
  131.2 12.78 12
  131.3 10.31 10
  131.4 6.8 6
  131.5 3.14 3
  175.8 3.28 3
  175.9 4.93 4
  176.0 6.47 6
  176.1 7.32 7
  176.2 7.35 7
  176.3 6.66 6
  176.4 5.25 5
  176.5 3.24 3
  192.6 1.5 1
  192.7 2.93 2
  192.8 5.09 5
  192.9 7.6 7
  193.0 9.78 9
  193.1 11.13 11
  193.2 11.63 11
  193.3 11.34 11
  193.4 9.89 9
  193.5 7.01 7
  193.6 3.44 3
  201.8 2.51 2
  201.9 3.88 3
  202.0 5.14 5
  202.1 5.82 5
  202.2 5.86 5
  202.3 5.42 5
  202.4 4.51 4
  202.5 3.08 3
  218.5 1.25 1
  218.6 2.42 2
  218.7 4.09 4
  218.8 6.16 6
  218.9 8.49 8
  219.0 10.77 10
  219.1 12.34 12
  219.2 12.62 12
  219.3 11.49 11
  219.4 9.17 9
  219.5 6.0 5
  219.6 2.71 2
  322.3 0.13 0
  322.4 1.18 1
  322.5 4.18 4
  322.6 9.78 9
  322.7 18.79 18
  322.8 32.44 32
  322.9 51.03 50
  323.0 71.93 71
  323.1 89.96 89
  323.2 100.0 99
  323.3 98.38 98
  323.4 82.99 82
  323.5 55.92 55
  323.6 26.04 26
  323.7 4.57 4
  323.8 0.0 0
//