ACCESSION: MSBNK-RIKEN_NPDepo-NGA02964
RECORD_TITLE: Haplamidine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-001i-0900000000-718b4da3f3553aeb653e
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  71.7 1.88 1
  71.8 2.93 2
  71.9 4.09 4
  72.0 5.01 5
  72.1 5.4 5
  72.2 5.15 5
  72.3 4.31 4
  72.4 3.0 2
  102.4 1.08 1
  102.5 2.82 2
  102.6 5.82 5
  102.7 9.92 9
  102.8 14.74 14
  102.9 19.43 19
  103.0 22.68 22
  103.1 23.43 23
  103.2 21.8 21
  103.3 18.56 18
  103.4 14.01 13
  103.5 8.47 8
  103.6 3.25 3
  104.4 0.93 0
  104.5 2.14 2
  104.6 3.98 3
  104.7 6.37 6
  104.8 9.08 9
  104.9 11.54 11
  105.0 13.12 13
  105.1 13.58 13
  105.2 12.97 12
  105.3 11.22 11
  105.4 8.21 8
  105.5 4.49 4
  105.6 1.33 1
  130.2 0.42 0
  130.3 2.0 1
  130.4 6.86 6
  130.5 15.73 15
  130.6 28.43 28
  130.7 44.94 44
  130.8 64.57 64
  130.9 83.75 83
  131.0 96.79 96
  131.1 100.0 99
  131.2 93.05 92
  131.3 76.8 76
  131.4 53.06 53
  131.5 27.26 27
  131.6 7.4 7
  131.7 0.14 0
  175.6 2.59 2
  175.7 3.93 3
  175.8 5.84 5
  175.9 8.14 8
  176.0 10.19 10
  176.1 11.4 11
  176.2 11.63 11
  176.3 10.89 10
  176.4 9.04 9
  176.5 6.11 6
  176.6 2.87 2
//