ACCESSION: MSBNK-Keio_Univ-KO003105
RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H029

CH$NAME: Harman
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀N₂
CH$EXACT_MASS: 182.08440
CH$SMILES: CC1=NC=CC2=C1NC3=CC=CC=C23
CH$IUPAC: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
CH$LINK: CAS 486-84-0
CH$LINK: KEGG C09209
CH$LINK: NIKKAJI J1.550D
CH$LINK: PUBCHEM SID:11400
CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80197568

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 183
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-0900000000-44b48ea4f06e0ee29093
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  63.000 128713.0 33
  67.600 29703.0 8
  68.800 14851.5 4
  73.200 84158.5 22
  76.800 39604.0 10
  78.700 24752.5 6
  81.100 34653.5 9
  82.300 19802.0 5
  92.100 34653.5 9
  94.900 64356.5 17
  104.800 29703.0 8
  105.200 44554.5 11
  106.100 49505.0 13
  108.000 14851.5 4
  110.000 118812.0 31
  115.300 341584.5 88
  123.000 29703.0 8
  128.300 14851.5 4
  129.300 24752.5 6
  142.200 267327.0 69
  168.300 153465.5 40
  182.500 128713.0 33
  183.200 3871291.0 999
//