ACCESSION: MSBNK-Keio_Univ-KO001029
RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:20 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 181
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-2900000000-37a11b66e75cedf3e072
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  42.200 113861.5 31
  45.600 9901.0 3
  59.100 495050.0 135
  60.000 49505.0 13
  67.700 19802.0 5
  99.200 331683.5 90
  115.300 64356.5 18
  121.300 59406.0 16
  124.400 19802.0 5
  129.000 74257.5 20
  134.900 14851.5 4
  137.100 39604.0 11
  163.000 14851.5 4
  165.300 9901.0 3
  181.200 3673271.0 999
//