ACCESSION: MSBNK-Waters-WA002105
RECORD_TITLE: Indalpine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Indalpine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀N₂
CH$EXACT_MASS: 228.16265
CH$SMILES: C1CNCCC1CCC2=CNC3=CC=CC=C32
CH$IUPAC: InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
CH$LINK: CAS 63758-79-2
CH$LINK: INCHIKEY SADQVAVFGNTEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80213196

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.780 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-06si-0920000000-2df31abf0e8df244274e
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  106 615 615
  107 51 51
  108 31 31
  112 286 286
  113 12 12
  118 165 165
  119 12 12
  120 71 71
  122 47 47
  124 12 12
  129 16 16
  130 999 999
  131 86 86
  132 141 141
  134 24 24
  135 16 16
  136 98 98
  143 20 20
  144 349 349
  145 31 31
  146 31 31
  156 208 208
  157 39 39
  158 51 51
  168 74 74
  169 82 82
  170 176 176
  171 27 27
  172 24 24
  182 67 67
  183 129 129
  184 235 235
  185 27 27
  186 27 27
  196 16 16
  197 43 43
  198 51 51
  200 39 39
  210 20 20
  212 650 650
  213 82 82
  215 20 20
  229 376 376
  230 47 47
//